2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one

C18H16O6 — CID 14235163

IUPAC2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
SMILESCOc1cc2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2cc1O
InChIInChI=1S/C18H16O6/c1-21-14-5-4-10(6-18(14)23-3)15-8-12(19)11-7-17(22-2)13(20)9-16(11)24-15/h4-9,20H,1-3H3
InChIKeyFMJQLWHWTVZCDI-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.19
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one

2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one (PubChem CID 14235163) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
PubChem CID14235163
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
SMILESCOc1cc2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2cc1O
InChIInChI=1S/C18H16O6/c1-21-14-5-4-10(6-18(14)23-3)15-8-12(19)11-7-17(22-2)13(20)9-16(11)24-15/h4-9,20H,1-3H3
InChIKeyFMJQLWHWTVZCDI-UHFFFAOYSA-N
XLogP3.19
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 72705992
6,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 71436763
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 12794885
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
7-(3-bromopropoxy)-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 69029207
2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
CID 139217483

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one (CID 14235163) is 2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one is COc1cc2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2cc1O.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one?
The InChIKey is FMJQLWHWTVZCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-21-14-5-4-10(6-18(14)23-3)15-8-12(19)11-7-17(22-2)13(20)9-16(11)24-15/h4-9,20H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one?
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one has a molecular weight of 328.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one is sourced from PubChem (CID 14235163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).