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

C18H16O7 — CID 10807373

IUPAC3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(O)c(-c3cc(OC)c(O)c(OC)c3)oc2c1
InChIInChI=1S/C18H16O7/c1-22-10-4-5-11-12(8-10)25-18(17(21)15(11)19)9-6-13(23-2)16(20)14(7-9)24-3/h4-8,20-21H,1-3H3
InChIKeyGBWMFLHSTNCGQS-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.90
Rot. Bonds4

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

3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one (PubChem CID 10807373) has the molecular formula C18H16O7 and a molecular weight of 344.32 g/mol. Its IUPAC name is 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
PubChem CID10807373
Molecular FormulaC18H16O7
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Name3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(O)c(-c3cc(OC)c(O)c(OC)c3)oc2c1
InChIInChI=1S/C18H16O7/c1-22-10-4-5-11-12(8-10)25-18(17(21)15(11)19)9-6-13(23-2)16(20)14(7-9)24-3/h4-8,20-21H,1-3H3
InChIKeyGBWMFLHSTNCGQS-UHFFFAOYSA-N
XLogP2.90
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
7-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 66573997
7-hexyl-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 123768605
2-(3,4-dimethoxyphenyl)-3-hydroxy-7-(3-methylbut-1-enoxy)chromen-4-one
CID 156774994
3-hydroxy-6-iodo-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 171355593
2-(3,5-dimethoxyphenyl)-3-hydroxychromen-4-one
CID 66573994
3,5,6-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 141478271
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 56946608
3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 12532439
6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 66573995
2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704
(2S,3S,4S,5R)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 154699969

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one?
The IUPAC name of 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one (CID 10807373) is 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one?
The canonical SMILES for 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one is COc1ccc2c(=O)c(O)c(-c3cc(OC)c(O)c(OC)c3)oc2c1.
What is the InChIKey of 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one?
The InChIKey is GBWMFLHSTNCGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O7/c1-22-10-4-5-11-12(8-10)25-18(17(21)15(11)19)9-6-13(23-2)16(20)14(7-9)24-3/h4-8,20-21H,1-3H3.
What are the key properties of 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one?
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one has a molecular weight of 344.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 10807373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).