5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one

C18H16O5 — CID 12004232

IUPAC5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3cc(OC)cc(OC)c23)cc1
InChIInChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-17(19)23-16-9-13(21-2)8-15(22-3)18(14)16/h4-10H,1-3H3
InChIKeyLUAQJOITTQBGCV-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.49
Rot. Bonds4

About 5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one

5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one (PubChem CID 12004232) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one
PubChem CID12004232
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3cc(OC)cc(OC)c23)cc1
InChIInChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-17(19)23-16-9-13(21-2)8-15(22-3)18(14)16/h4-10H,1-3H3
InChIKeyLUAQJOITTQBGCV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one (CID 12004232) is 5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one is COc1ccc(-c2cc(=O)oc3cc(OC)cc(OC)c23)cc1.
What is the InChIKey of 5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one?
The InChIKey is LUAQJOITTQBGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)14-10-17(19)23-16-9-13(21-2)8-15(22-3)18(14)16/h4-10H,1-3H3.
What are the key properties of 5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one?
5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-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 5,7-dimethoxy-4-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 12004232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).