5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one

C16H12O5 — CID 5281703

IUPAC5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
InChIKeyXLTFNNCXVBYBSX-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.88
Rot. Bonds2

About 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one

5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one (PubChem CID 5281703) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
PubChem CID5281703
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
InChIKeyXLTFNNCXVBYBSX-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one
CID 164597629
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
2-[4-(5-bromopentyl)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one;ethane;methane
CID 164861386
6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
CID 15826150
(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
CID 171395717
(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
CID 125039156
7-hydroxy-8-methoxy-2-phenyl-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 177417287
[5,7-dihydroxy-2-(3-methylphenyl)-4-oxochromen-8-yl] hydrogen sulfate
CID 155301521
5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 54769632
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one (CID 5281703) is 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one is COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one?
The InChIKey is XLTFNNCXVBYBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3.
What are the key properties of 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one?
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one has a molecular weight of 284.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one is sourced from PubChem (CID 5281703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).