2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one

C16H12O7 — CID 18372853

IUPAC2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1O
InChIInChI=1S/C16H12O7/c1-22-11-5-3-8-12(19)14(21)15(23-16(8)13(11)20)7-2-4-9(17)10(18)6-7/h2-6,17-18,20-21H,1H3
InChIKeyOUYVWEGOIYBVGF-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.29
Rot. Bonds2

About 2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one

2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one (PubChem CID 18372853) has the molecular formula C16H12O7 and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
PubChem CID18372853
Molecular FormulaC16H12O7
Molecular Weight316.27 g/mol
Exact Mass316.06
IUPAC Name2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1O
InChIInChI=1S/C16H12O7/c1-22-11-5-3-8-12(19)14(21)15(23-16(8)13(11)20)7-2-4-9(17)10(18)6-7/h2-6,17-18,20-21H,1H3
InChIKeyOUYVWEGOIYBVGF-UHFFFAOYSA-N
XLogP2.29
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

3,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 155537028
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-methylchromen-4-one
CID 46913430
3,5,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 90744052
2-(3,4-dihydroxyphenyl)-6,8-difluoro-3-hydroxychromen-4-one
CID 18345210
3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 178063472
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 56946608
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
CID 13270924
3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,6-dimethoxychromen-4-one
CID 162971212
3,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;hydrate
CID 121233655
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one
CID 15137940

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one (CID 18372853) is 2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one is COc1ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1O.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one?
The InChIKey is OUYVWEGOIYBVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O7/c1-22-11-5-3-8-12(19)14(21)15(23-16(8)13(11)20)7-2-4-9(17)10(18)6-7/h2-6,17-18,20-21H,1H3.
What are the key properties of 2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one?
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one has a molecular weight of 316.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one is sourced from PubChem (CID 18372853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).