6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one

C16H14O4 — CID 174473612

IUPAC6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one
SMILESCOC1(c2ccccc2)CC(=O)c2cc(O)ccc2O1
InChIInChI=1S/C16H14O4/c1-19-16(11-5-3-2-4-6-11)10-14(18)13-9-12(17)7-8-15(13)20-16/h2-9,17H,10H2,1H3
InChIKeyPGAHPANPXANQAF-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.86
Rot. Bonds2

About 6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one

6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one (PubChem CID 174473612) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one.

Molecular Properties

Compound Name6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one
PubChem CID174473612
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one
SMILESCOC1(c2ccccc2)CC(=O)c2cc(O)ccc2O1
InChIInChI=1S/C16H14O4/c1-19-16(11-5-3-2-4-6-11)10-14(18)13-9-12(17)7-8-15(13)20-16/h2-9,17H,10H2,1H3
InChIKeyPGAHPANPXANQAF-UHFFFAOYSA-N
XLogP2.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5,6-trimethoxy-2-phenyl-3H-chromen-4-one
CID 161109582
6-hydroxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207071
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 3243908
(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
CID 150532948
6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one
CID 173079143
6-hydroxy-2-(3-hydroxybutyl)-2-methyl-3H-chromen-4-one
CID 155550976
(2S)-6-hydroxy-2-(12-hydroxydodecyl)-2-methyl-3H-chromen-4-one
CID 67533788
2-(2-methyl-4-oxo-6-phenyl-3H-chromen-2-yl)acetic acid
CID 82019255
(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one
CID 871802
(2R)-6-hydroxy-2-[(3E,7E)-9-hydroxy-4,8-dimethylnona-3,7-dienyl]-4-oxo-3H-chromene-2-carboxylic acid
CID 139590275
methyl (2S)-2-hydroxy-4-oxo-3H-chromene-2-carboxylate
CID 7443223
6'-bromospiro[1,3-dihydroindene-2,2'-3H-chromene]-4'-one
CID 58423986

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one?
The IUPAC name of 6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one (CID 174473612) is 6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one.
What is the SMILES notation for 6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one?
The canonical SMILES for 6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one is COC1(c2ccccc2)CC(=O)c2cc(O)ccc2O1.
What is the InChIKey of 6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one?
The InChIKey is PGAHPANPXANQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-16(11-5-3-2-4-6-11)10-14(18)13-9-12(17)7-8-15(13)20-16/h2-9,17H,10H2,1H3.
What are the key properties of 6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one?
6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one has a molecular weight of 270.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one is sourced from PubChem (CID 174473612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).