4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one

C17H18O2 — CID 132535803

IUPAC4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one
SMILESCc1ccc(C(O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17(19)12-11-16(18)14-5-3-2-4-6-14/h2-10,17,19H,11-12H2,1H3
InChIKeyRQNVHQIGMMHZDK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.69
Rot. Bonds5

About 4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one

4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one (PubChem CID 132535803) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one
PubChem CID132535803
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one
SMILESCc1ccc(C(O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17(19)12-11-16(18)14-5-3-2-4-6-14/h2-10,17,19H,11-12H2,1H3
InChIKeyRQNVHQIGMMHZDK-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-5-hydroxy-5-(4-methylphenyl)pentan-2-one
CID 147680290
4-(2,3-dihydro-1,4-benzodithiin-6-yl)-4-hydroxy-1-phenylbutan-1-one
CID 148896954
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
dimethylphosphane;4-methyl-1-(4-phenylsulfanylphenyl)pentan-1-ol;4-methyl-1-(4-phenylsulfanylphenyl)pentan-1-one
CID 167646237
3-(4-methylphenyl)-1-phenylpentane-1,4-dione
CID 53348977
2-hydroxy-1,5-diphenylpentane-1,5-dione
CID 14316875
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
5-hydroxy-1-phenylhexane-1,4-dione
CID 102259650
4-chloro-1-phenylpentan-1-one
CID 14472970
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
4-amino-1,4-diphenylbutan-1-one
CID 116570833
N-butan-2-yl-4-hydroxy-4-(4-methylphenyl)butanamide
CID 112510379

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one?
The IUPAC name of 4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one (CID 132535803) is 4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one?
The canonical SMILES for 4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one is Cc1ccc(C(O)CCC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one?
The InChIKey is RQNVHQIGMMHZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17(19)12-11-16(18)14-5-3-2-4-6-14/h2-10,17,19H,11-12H2,1H3.
What are the key properties of 4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one?
4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one is sourced from PubChem (CID 132535803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).