8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one

C19H16O5 — CID 672476

IUPAC8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one
SMILESCOc1ccc(C(=O)Cc2cc3cccc(OC)c3oc2=O)cc1
InChIInChI=1S/C19H16O5/c1-22-15-8-6-12(7-9-15)16(20)11-14-10-13-4-3-5-17(23-2)18(13)24-19(14)21/h3-10H,11H2,1-2H3
InChIKeyVKMKWSQLRYIEBH-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.24
Rot. Bonds5

About 8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one

8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one (PubChem CID 672476) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one
PubChem CID672476
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one
SMILESCOc1ccc(C(=O)Cc2cc3cccc(OC)c3oc2=O)cc1
InChIInChI=1S/C19H16O5/c1-22-15-8-6-12(7-9-15)16(20)11-14-10-13-4-3-5-17(23-2)18(13)24-19(14)21/h3-10H,11H2,1-2H3
InChIKeyVKMKWSQLRYIEBH-UHFFFAOYSA-N
XLogP3.24
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.24
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 8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one?
The IUPAC name of 8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one (CID 672476) is 8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one.
What is the SMILES notation for 8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one?
The canonical SMILES for 8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one is COc1ccc(C(=O)Cc2cc3cccc(OC)c3oc2=O)cc1.
What is the InChIKey of 8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one?
The InChIKey is VKMKWSQLRYIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-22-15-8-6-12(7-9-15)16(20)11-14-10-13-4-3-5-17(23-2)18(13)24-19(14)21/h3-10H,11H2,1-2H3.
What are the key properties of 8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one?
8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one has a molecular weight of 324.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]chromen-2-one is sourced from PubChem (CID 672476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).