(2-hydroxy-4-methoxyphenyl)-phenylmethanone

C14H12O3 — CID 4632

💊View drug profile → oxybenzone
IUPAC(2-hydroxy-4-methoxyphenyl)-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKeyDXGLGDHPHMLXJC-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.63
Rot. Bonds3

About (2-hydroxy-4-methoxyphenyl)-phenylmethanone

(2-hydroxy-4-methoxyphenyl)-phenylmethanone (PubChem CID 4632) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-phenylmethanone
PubChem CID4632
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name(2-hydroxy-4-methoxyphenyl)-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKeyDXGLGDHPHMLXJC-UHFFFAOYSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-hydroxy-4-methoxyphenyl)-phenylmethanone 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
Octabenzone
CID 15797
Apigenin
CID 5280443
Diosmetin
CID 5281612
Phloretin
CID 4788
Naringenin
CID 439246
Luteolin
CID 5280445
Kaempferol
CID 5280863
Daidzein
CID 5281708
Chrysin
CID 5281607
Sulisobenzone
CID 19988
Paeonol
CID 11092

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-phenylmethanone (CID 4632) is (2-hydroxy-4-methoxyphenyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-phenylmethanone is COc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-phenylmethanone?
The InChIKey is DXGLGDHPHMLXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-phenylmethanone?
(2-hydroxy-4-methoxyphenyl)-phenylmethanone has a molecular weight of 228.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-phenylmethanone is sourced from PubChem (CID 4632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).