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

C18H16O8 — CID 12532439

IUPAC3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C18H16O8/c1-23-9-6-10(19)14-12(7-9)26-17(16(22)15(14)21)8-4-11(20)18(25-3)13(5-8)24-2/h4-7,19-20,22H,1-3H3
InChIKeyBHTRHOOJYLEZRA-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.60
Rot. Bonds4

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

3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one (PubChem CID 12532439) has the molecular formula C18H16O8 and a molecular weight of 360.32 g/mol. Its IUPAC name is 3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one.

Molecular Properties

Compound Name3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
PubChem CID12532439
Molecular FormulaC18H16O8
Molecular Weight360.32 g/mol
Exact Mass360.08
IUPAC Name3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C18H16O8/c1-23-9-6-10(19)14-12(7-9)26-17(16(22)15(14)21)8-4-11(20)18(25-3)13(5-8)24-2/h4-7,19-20,22H,1-3H3
InChIKeyBHTRHOOJYLEZRA-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

3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
CID 11012936
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one
CID 5316815
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 11634352
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
1,6-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 5316837
4-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2-hydroxy-6-methoxyphenolate
CID 90658078
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 5281672
3,5,6-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 141478271

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one?
The IUPAC name of 3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one (CID 12532439) is 3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one.
What is the SMILES notation for 3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one?
The canonical SMILES for 3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one is COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(OC)c(OC)c3)oc2c1.
What is the InChIKey of 3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one?
The InChIKey is BHTRHOOJYLEZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O8/c1-23-9-6-10(19)14-12(7-9)26-17(16(22)15(14)21)8-4-11(20)18(25-3)13(5-8)24-2/h4-7,19-20,22H,1-3H3.
What are the key properties of 3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one?
3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-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 3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one is sourced from PubChem (CID 12532439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).