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

C18H16O7 — CID 69325736

IUPAC7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(OC)cc(O)cc3o2)cc(OC)c1O
InChIInChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-17(13)11(20)8-12(25-14)9-4-15(23-2)18(21)16(5-9)24-3/h4-8,19,21H,1-3H3
InChIKeyAXRKSZDKEKZRCY-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.90
Rot. Bonds4

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

7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one (PubChem CID 69325736) has the molecular formula C18H16O7 and a molecular weight of 344.32 g/mol. Its IUPAC name is 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
PubChem CID69325736
Molecular FormulaC18H16O7
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Name7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(OC)cc(O)cc3o2)cc(OC)c1O
InChIInChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-17(13)11(20)8-12(25-14)9-4-15(23-2)18(21)16(5-9)24-3/h4-8,19,21H,1-3H3
InChIKeyAXRKSZDKEKZRCY-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

7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 166738228
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid
CID 54133201
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one;5,7-dihydroxy-2-(3-hydroxy-4-methylphenyl)chromen-4-one;5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;methane
CID 162082533
2-(3,4-dimethoxyphenyl)-7-(2-hydroxyethoxy)-5-methoxychromen-4-one;2-(3,4-dimethoxyphenyl)-7-hydroxy-5-methoxychromen-4-one
CID 157085920
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one
CID 54704726
[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl] dipropan-2-yl phosphate
CID 134133497
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 177477237
7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 72703441
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
CID 66790913
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 155067018

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one?
The IUPAC name of 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one (CID 69325736) is 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one?
The canonical SMILES for 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one is COc1cc(-c2cc(=O)c3c(OC)cc(O)cc3o2)cc(OC)c1O.
What is the InChIKey of 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one?
The InChIKey is AXRKSZDKEKZRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-17(13)11(20)8-12(25-14)9-4-15(23-2)18(21)16(5-9)24-3/h4-8,19,21H,1-3H3.
What are the key properties of 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one?
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-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 7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one is sourced from PubChem (CID 69325736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).