1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone

C16H16O3 — CID 736185

IUPAC1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2)c(C)c1O
InChIInChI=1S/C16H16O3/c1-11-15(9-8-14(12(2)17)16(11)18)19-10-13-6-4-3-5-7-13/h3-9,18H,10H2,1-2H3
InChIKeyPWGVUHPMXRYALX-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.48
Rot. Bonds4

About 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone

1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone (PubChem CID 736185) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone
PubChem CID736185
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1ccc(OCc2ccccc2)c(C)c1O
InChIInChI=1S/C16H16O3/c1-11-15(9-8-14(12(2)17)16(11)18)19-10-13-6-4-3-5-7-13/h3-9,18H,10H2,1-2H3
InChIKeyPWGVUHPMXRYALX-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Genistein
CID 5280961
2-Hydroxy-4-methoxybenzophenone
CID 4632
Octabenzone
CID 15797
Apigenin
CID 5280443
Diosmetin
CID 5281612
Hesperetin
CID 72281
Daidzin
CID 107971
Naringenin
CID 439246
Formononetin
CID 5280378
Kaempferol
CID 5280863
Daidzein
CID 5281708
Puerarin
CID 5281807

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone (CID 736185) is 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone is CC(=O)c1ccc(OCc2ccccc2)c(C)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone?
The InChIKey is PWGVUHPMXRYALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-15(9-8-14(12(2)17)16(11)18)19-10-13-6-4-3-5-7-13/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone?
1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone has a molecular weight of 256.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 736185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).