4-(3-methylphenyl)-1-phenylbutan-2-ol

C17H20O — CID 63016612

IUPAC4-(3-methylphenyl)-1-phenylbutan-2-ol
SMILESCc1cccc(CCC(O)Cc2ccccc2)c1
InChIInChI=1S/C17H20O/c1-14-6-5-9-16(12-14)10-11-17(18)13-15-7-3-2-4-8-15/h2-9,12,17-18H,10-11,13H2,1H3
InChIKeyZUHVAPWKDTWOBK-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.53
Rot. Bonds5

About 4-(3-methylphenyl)-1-phenylbutan-2-ol

4-(3-methylphenyl)-1-phenylbutan-2-ol (PubChem CID 63016612) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-phenylbutan-2-ol
PubChem CID63016612
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name4-(3-methylphenyl)-1-phenylbutan-2-ol
SMILESCc1cccc(CCC(O)Cc2ccccc2)c1
InChIInChI=1S/C17H20O/c1-14-6-5-9-16(12-14)10-11-17(18)13-15-7-3-2-4-8-15/h2-9,12,17-18H,10-11,13H2,1H3
InChIKeyZUHVAPWKDTWOBK-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
CID 63520342
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
1-ethoxy-4-(3-methylphenyl)butan-2-ol
CID 105111845
1-(3-methylphenyl)nonan-3-ol
CID 105085389
5-chloro-1-(3-methylphenyl)pentan-2-ol
CID 66043960
2-fluoro-4-(3-methylphenyl)butanoic acid
CID 84720725
1,6-diphenylhexane-2,5-diol
CID 15072586
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
CID 105088452
1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105113610
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-phenylbutan-2-ol?
The IUPAC name of 4-(3-methylphenyl)-1-phenylbutan-2-ol (CID 63016612) is 4-(3-methylphenyl)-1-phenylbutan-2-ol.
What is the SMILES notation for 4-(3-methylphenyl)-1-phenylbutan-2-ol?
The canonical SMILES for 4-(3-methylphenyl)-1-phenylbutan-2-ol is Cc1cccc(CCC(O)Cc2ccccc2)c1.
What is the InChIKey of 4-(3-methylphenyl)-1-phenylbutan-2-ol?
The InChIKey is ZUHVAPWKDTWOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-14-6-5-9-16(12-14)10-11-17(18)13-15-7-3-2-4-8-15/h2-9,12,17-18H,10-11,13H2,1H3.
What are the key properties of 4-(3-methylphenyl)-1-phenylbutan-2-ol?
4-(3-methylphenyl)-1-phenylbutan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-phenylbutan-2-ol is sourced from PubChem (CID 63016612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).