2-(2,4-dihydroxyphenyl)-1-phenylethanone

C14H12O3 — CID 15669269

IUPAC2-(2,4-dihydroxyphenyl)-1-phenylethanone
SMILESO=C(Cc1ccc(O)cc1O)c1ccccc1
InChIInChI=1S/C14H12O3/c15-12-7-6-11(14(17)9-12)8-13(16)10-4-2-1-3-5-10/h1-7,9,15,17H,8H2
InChIKeyOAGSBMHXWJSQMX-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.52
Rot. Bonds3

About 2-(2,4-dihydroxyphenyl)-1-phenylethanone

2-(2,4-dihydroxyphenyl)-1-phenylethanone (PubChem CID 15669269) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-1-phenylethanone
PubChem CID15669269
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2-(2,4-dihydroxyphenyl)-1-phenylethanone
SMILESO=C(Cc1ccc(O)cc1O)c1ccccc1
InChIInChI=1S/C14H12O3/c15-12-7-6-11(14(17)9-12)8-13(16)10-4-2-1-3-5-10/h1-7,9,15,17H,8H2
InChIKeyOAGSBMHXWJSQMX-UHFFFAOYSA-N
XLogP2.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-1-phenylethanone?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-1-phenylethanone (CID 15669269) is 2-(2,4-dihydroxyphenyl)-1-phenylethanone.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-1-phenylethanone?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-1-phenylethanone is O=C(Cc1ccc(O)cc1O)c1ccccc1.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-1-phenylethanone?
The InChIKey is OAGSBMHXWJSQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-7-6-11(14(17)9-12)8-13(16)10-4-2-1-3-5-10/h1-7,9,15,17H,8H2.
What are the key properties of 2-(2,4-dihydroxyphenyl)-1-phenylethanone?
2-(2,4-dihydroxyphenyl)-1-phenylethanone has a molecular weight of 228.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-1-phenylethanone is sourced from PubChem (CID 15669269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).