5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one

C17H14O7 — CID 71459473

IUPAC5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1cc(OC)c(-c2coc3cc(O)cc(O)c3c2=O)cc1O
InChIInChI=1S/C17H14O7/c1-22-13-6-14(23-2)11(19)5-9(13)10-7-24-15-4-8(18)3-12(20)16(15)17(10)21/h3-7,18-20H,1-2H3
InChIKeyRFZUQQJZFOHGNF-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.59
Rot. Bonds3

About 5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one

5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one (PubChem CID 71459473) has the molecular formula C17H14O7 and a molecular weight of 330.29 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one
PubChem CID71459473
Molecular FormulaC17H14O7
Molecular Weight330.29 g/mol
Exact Mass330.07
IUPAC Name5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1cc(OC)c(-c2coc3cc(O)cc(O)c3c2=O)cc1O
InChIInChI=1S/C17H14O7/c1-22-13-6-14(23-2)11(19)5-9(13)10-7-24-15-4-8(18)3-12(20)16(15)17(10)21/h3-7,18-20H,1-2H3
InChIKeyRFZUQQJZFOHGNF-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

3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
CID 46879792
6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
CID 15485381
3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 162855951
3-[(3R)-3,5-dihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one
CID 162959961
CID 66722646
CID 66722646
5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one
CID 163032460
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
3,9-bis(3,4-dimethoxyphenyl)-5-hydroxypyrano[2,3-h]chromene-4,10-dione
CID 127051628
3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5398360
5,7-dihydroxy-3-pyridin-2-ylchromen-4-one
CID 5413046
5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
CID 5491550
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
CID 102347784

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one (CID 71459473) is 5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one is COc1cc(OC)c(-c2coc3cc(O)cc(O)c3c2=O)cc1O.
What is the InChIKey of 5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one?
The InChIKey is RFZUQQJZFOHGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O7/c1-22-13-6-14(23-2)11(19)5-9(13)10-7-24-15-4-8(18)3-12(20)16(15)17(10)21/h3-7,18-20H,1-2H3.
What are the key properties of 5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one?
5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-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 5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 71459473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).