3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

C18H16O5 — CID 14804651

IUPAC3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3ccc(OC)cc3c(=O)c2OC)cc1
InChIInChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)17-18(22-3)16(19)14-10-13(21-2)8-9-15(14)23-17/h4-10H,1-3H3
InChIKeyMIRRKSIIJPBULL-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.49
Rot. Bonds4

About 3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 14804651) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID14804651
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3ccc(OC)cc3c(=O)c2OC)cc1
InChIInChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)17-18(22-3)16(19)14-10-13(21-2)8-9-15(14)23-17/h4-10H,1-3H3
InChIKeyMIRRKSIIJPBULL-UHFFFAOYSA-N
XLogP3.49
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
CID 15512805
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
3-bromo-6-methoxy-2-(4-methylsulfanylphenyl)chromen-4-one
CID 11132577
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 123956955
3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one
CID 118594281
N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide
CID 66845549
3-(4-bromobutoxy)-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 171061266
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
CID 7747630
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one (CID 14804651) is 3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2oc3ccc(OC)cc3c(=O)c2OC)cc1.
What is the InChIKey of 3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is MIRRKSIIJPBULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)17-18(22-3)16(19)14-10-13(21-2)8-9-15(14)23-17/h4-10H,1-3H3.
What are the key properties of 3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one?
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 14804651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).