2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one

C15H14O4 — CID 67427597

IUPAC2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one
SMILESO=C(c1ccccc1O)C(O)(O)Cc1ccccc1
InChIInChI=1S/C15H14O4/c16-13-9-5-4-8-12(13)14(17)15(18,19)10-11-6-2-1-3-7-11/h1-9,16,18-19H,10H2
InChIKeyDFMHFJSDXOBQMQ-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.50
Rot. Bonds4

About 2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one

2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one (PubChem CID 67427597) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one
PubChem CID67427597
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one
SMILESO=C(c1ccccc1O)C(O)(O)Cc1ccccc1
InChIInChI=1S/C15H14O4/c16-13-9-5-4-8-12(13)14(17)15(18,19)10-11-6-2-1-3-7-11/h1-9,16,18-19H,10H2
InChIKeyDFMHFJSDXOBQMQ-UHFFFAOYSA-N
XLogP1.50
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
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2-amino-2-(2-hydroxybenzoyl)butanoic acid
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3,3-dibromo-4-phenylbutan-2-one
CID 20690158
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
CID 87183669
CID 87183669
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of 2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one (CID 67427597) is 2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one is O=C(c1ccccc1O)C(O)(O)Cc1ccccc1.
What is the InChIKey of 2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one?
The InChIKey is DFMHFJSDXOBQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-13-9-5-4-8-12(13)14(17)15(18,19)10-11-6-2-1-3-7-11/h1-9,16,18-19H,10H2.
What are the key properties of 2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one?
2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one has a molecular weight of 258.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-1-(2-hydroxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 67427597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).