2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one

C18H16O8 — CID 71665818

IUPAC2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
SMILESCOc1cc2oc(-c3cc(O)cc(O)c3OC)cc(=O)c2c(O)c1OC
InChIInChI=1S/C18H16O8/c1-23-14-7-13-15(16(22)18(14)25-3)10(20)6-12(26-13)9-4-8(19)5-11(21)17(9)24-2/h4-7,19,21-22H,1-3H3
InChIKeyGVHGTNNZZZKNML-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.60
Rot. Bonds4

About 2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one

2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one (PubChem CID 71665818) has the molecular formula C18H16O8 and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
PubChem CID71665818
Molecular FormulaC18H16O8
Molecular Weight360.32 g/mol
Exact Mass360.08
IUPAC Name2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
SMILESCOc1cc2oc(-c3cc(O)cc(O)c3OC)cc(=O)c2c(O)c1OC
InChIInChI=1S/C18H16O8/c1-23-14-7-13-15(16(22)18(14)25-3)10(20)6-12(26-13)9-4-8(19)5-11(21)17(9)24-2/h4-7,19,21-22H,1-3H3
InChIKeyGVHGTNNZZZKNML-UHFFFAOYSA-N
XLogP2.60
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one
CID 54731641
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
methyl 2-[2-(5-chloro-2,3-dimethoxyphenyl)-7-hydroxy-4-oxochromen-5-yl]acetate
CID 155811199
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 163046966
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
CID 69325736
5,7-dihydroxy-6-methoxy-2-(4-methylsulfonylphenyl)chromen-4-one
CID 57405632
2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one
CID 144525991
5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
CID 142727332
5,7-dihydroxy-2-(4-hydroxyphenyl)selanyl-6-methoxychromen-4-one
CID 172843365

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
The IUPAC name of 2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one (CID 71665818) is 2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
The canonical SMILES for 2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one is COc1cc2oc(-c3cc(O)cc(O)c3OC)cc(=O)c2c(O)c1OC.
What is the InChIKey of 2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
The InChIKey is GVHGTNNZZZKNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O8/c1-23-14-7-13-15(16(22)18(14)25-3)10(20)6-12(26-13)9-4-8(19)5-11(21)17(9)24-2/h4-7,19,21-22H,1-3H3.
What are the key properties of 2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one has a molecular weight of 360.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one is sourced from PubChem (CID 71665818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).