1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one

C17H18O2 — CID 159247184

IUPAC1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C17H18O2/c1-17(2,19)16(18)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11,19H,12H2,1-2H3
InChIKeyKUVDFZILLBJJAV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one

1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 159247184) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one
PubChem CID159247184
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C17H18O2/c1-17(2,19)16(18)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11,19H,12H2,1-2H3
InChIKeyKUVDFZILLBJJAV-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
1-benzyl-2-prop-1-en-2-ylbenzene
CID 12535340
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
1-(2,3-dipropylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 175493914
(2-benzylphenyl)-(4-bromophenyl)methanone
CID 141365768
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
2-hydroxy-1-[2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
CID 174547295
2-benzylbenzenecarbothioyl chloride
CID 21317460
2-[(2,6-dimethylphenyl)methyl]benzoic acid
CID 158215525
bis(3-benzyl-2-chlorophenyl)methanone
CID 141224767
(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol
CID 129364050
2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
CID 19794414

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one (CID 159247184) is 1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is KUVDFZILLBJJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,19)16(18)15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11,19H,12H2,1-2H3.
What are the key properties of 1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one?
1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 159247184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).