1-(2,3-dihydroxy-6-phenylphenyl)ethanone

C14H12O3 — CID 173305847

IUPAC1-(2,3-dihydroxy-6-phenylphenyl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)ccc(O)c1O
InChIInChI=1S/C14H12O3/c1-9(15)13-11(7-8-12(16)14(13)17)10-5-3-2-4-6-10/h2-8,16-17H,1H3
InChIKeySWBPQQCEHKOXES-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.97
Rot. Bonds2

About 1-(2,3-dihydroxy-6-phenylphenyl)ethanone

1-(2,3-dihydroxy-6-phenylphenyl)ethanone (PubChem CID 173305847) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(2,3-dihydroxy-6-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroxy-6-phenylphenyl)ethanone
PubChem CID173305847
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name1-(2,3-dihydroxy-6-phenylphenyl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)ccc(O)c1O
InChIInChI=1S/C14H12O3/c1-9(15)13-11(7-8-12(16)14(13)17)10-5-3-2-4-6-10/h2-8,16-17H,1H3
InChIKeySWBPQQCEHKOXES-UHFFFAOYSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone
CID 138973706
3-hydroxy-6-phenylbenzene-1,2-dicarboxamide
CID 68648251
1-(2,4-diphenyl-3-pyridinyl)ethanone
CID 102576392
1-(2-hydroxy-1,4-diphenylpyrrol-3-yl)ethanone
CID 44718395
1-[6-(tert-butylamino)-3-hydroxy-2-phenylphenyl]ethanone
CID 102064211
sodium;hydrogen carbonate;2-phenylphenol
CID 175078237
2,3-dimethyl-4-phenylphenol
CID 57091246
methyl 3-hydroxy-2-phenoxycarbonyloxy-6-phenylbenzoate
CID 70006981
oxalic acid;2-phenylphenol
CID 162319962
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
2-methyl-4-phenylbenzene-1,3-dicarboxylic acid;propan-2-one
CID 157214158
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxy-6-phenylphenyl)ethanone?
The IUPAC name of 1-(2,3-dihydroxy-6-phenylphenyl)ethanone (CID 173305847) is 1-(2,3-dihydroxy-6-phenylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroxy-6-phenylphenyl)ethanone?
The canonical SMILES for 1-(2,3-dihydroxy-6-phenylphenyl)ethanone is CC(=O)c1c(-c2ccccc2)ccc(O)c1O.
What is the InChIKey of 1-(2,3-dihydroxy-6-phenylphenyl)ethanone?
The InChIKey is SWBPQQCEHKOXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-9(15)13-11(7-8-12(16)14(13)17)10-5-3-2-4-6-10/h2-8,16-17H,1H3.
What are the key properties of 1-(2,3-dihydroxy-6-phenylphenyl)ethanone?
1-(2,3-dihydroxy-6-phenylphenyl)ethanone has a molecular weight of 228.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxy-6-phenylphenyl)ethanone is sourced from PubChem (CID 173305847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).