AI46756
2979-70-6 | 2-Methyl-5-phenylpentan-2-ol
Manufacturer: A2B Chem
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CatalogNumber
AI46756
ChemicalName
2-Methyl-5-phenylpentan-2-ol
CasNumber
2979-70-6
MolecularFormula
C12H18O
MolecularWeight
178.27072
MdlNumber
MFCD19347554
Smiles
CC(CCCc1ccccc1)(O)C
NscNumber
404661
Complexity
134
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3
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CatalogNumber: AI46756
ChemicalName: 2-Methyl-5-phenylpentan-2-ol
CasNumber: 2979-70-6
MolecularFormula: C12H18O
MolecularWeight: 178.27072
MdlNumber: MFCD19347554
Smiles: CC(CCCc1ccccc1)(O)C
NscNumber: 404661
Complexity: 134
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AI46756
ChemicalName:
2-Methyl-5-phenylpentan-2-ol
CasNumber:
2979-70-6
MolecularFormula:
C12H18O
MolecularWeight:
178.27072
MdlNumber:
MFCD19347554
Smiles:
CC(CCCc1ccccc1)(O)C
NscNumber:
404661
Complexity:
134
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3
CatalogNumber: AI46757
ChemicalName: 4-(1-Adamantyl)phenol
CasNumber: 29799-07-3
MolecularFormula: C16H20O
MolecularWeight: 228.3294
MdlNumber: MFCD00168143
Smiles: Oc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
NscNumber: 111653
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 5.2
CatalogNumber:
AI46757
ChemicalName:
4-(1-Adamantyl)phenol
CasNumber:
29799-07-3
MolecularFormula:
C16H20O
MolecularWeight:
228.3294
MdlNumber:
MFCD00168143
Smiles:
Oc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
NscNumber:
111653
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
5.2
CatalogNumber: AI46758
ChemicalName: Carbamazepine
CasNumber: 298-46-4
MolecularFormula: C15H12N2O
MolecularWeight: 236.26858000000001
MdlNumber: MFCD18071344
Smiles: NC(=O)N1c2ccccc2C=Cc2c1cccc2
NscNumber: __
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
AI46758
ChemicalName:
Carbamazepine
CasNumber:
298-46-4
MolecularFormula:
C15H12N2O
MolecularWeight:
236.26858000000001
MdlNumber:
MFCD18071344
Smiles:
NC(=O)N1c2ccccc2C=Cc2c1cccc2
NscNumber:
__
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 429
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
429
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.8