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

C17H14O7 — CID 162855951

IUPAC3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
SMILESCOc1cc2occ(-c3ccc(O)cc3O)c(=O)c2c(O)c1OC
InChIInChI=1S/C17H14O7/c1-22-13-6-12-14(16(21)17(13)23-2)15(20)10(7-24-12)9-4-3-8(18)5-11(9)19/h3-7,18-19,21H,1-2H3
InChIKeyRPDQDWGCRBVVHZ-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.59
Rot. Bonds3

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

3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one (PubChem CID 162855951) has the molecular formula C17H14O7 and a molecular weight of 330.29 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
PubChem CID162855951
Molecular FormulaC17H14O7
Molecular Weight330.29 g/mol
Exact Mass330.07
IUPAC Name3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
SMILESCOc1cc2occ(-c3ccc(O)cc3O)c(=O)c2c(O)c1OC
InChIInChI=1S/C17H14O7/c1-22-13-6-12-14(16(21)17(13)23-2)15(20)10(7-24-12)9-4-3-8(18)5-11(9)19/h3-7,18-19,21H,1-2H3
InChIKeyRPDQDWGCRBVVHZ-UHFFFAOYSA-N
XLogP2.59
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
CID 5491550
5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10830108
6-[(2S)-2,3-dihydroxy-3-methylbutyl]-3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 163052210
5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one
CID 70183681
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
CID 5464170
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
CID 46879792
7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
CID 46840811
5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one
CID 71459473
3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
CID 89116863
5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 163053098
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
5-hydroxy-6,7-dimethoxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 163004931

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one (CID 162855951) is 3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one is COc1cc2occ(-c3ccc(O)cc3O)c(=O)c2c(O)c1OC.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
The InChIKey is RPDQDWGCRBVVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O7/c1-22-13-6-12-14(16(21)17(13)23-2)15(20)10(7-24-12)9-4-3-8(18)5-11(9)19/h3-7,18-19,21H,1-2H3.
What are the key properties of 3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one has a molecular weight of 330.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one is sourced from PubChem (CID 162855951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).