1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one

C16H16O2 — CID 90102883

IUPAC1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)c1ccccc1O
InChIInChI=1S/C16H16O2/c1-12-6-2-3-7-13(12)10-11-16(18)14-8-4-5-9-15(14)17/h2-9,17H,10-11H2,1H3
InChIKeyVAMXHAMALIKZGB-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.52
Rot. Bonds4

About 1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one

1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one (PubChem CID 90102883) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one
PubChem CID90102883
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)c1ccccc1O
InChIInChI=1S/C16H16O2/c1-12-6-2-3-7-13(12)10-11-16(18)14-8-4-5-9-15(14)17/h2-9,17H,10-11H2,1H3
InChIKeyVAMXHAMALIKZGB-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
3-(2-methylphenyl)-1-(2,3,4-trifluorophenyl)propan-1-one
CID 105099017
3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113496
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
sodium bis[4-[3-(2-hydroxyphenyl)-3-oxopropyl]-3-methylphenyl] phosphate
CID 157218973
1,2-bis(2-methylphenyl)ethanone
CID 11345119
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
4-(2-methylphenyl)butanamide
CID 22103596
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
methyl 2-[2-(2-methylphenyl)ethyl]benzoate
CID 118040129

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one (CID 90102883) is 1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one is Cc1ccccc1CCC(=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one?
The InChIKey is VAMXHAMALIKZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-6-2-3-7-13(12)10-11-16(18)14-8-4-5-9-15(14)17/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one?
1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one has a molecular weight of 240.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 90102883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).