3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one

C19H13ClO3 — CID 707670

IUPAC3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one
SMILESCc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc1=O
InChIInChI=1S/C19H13ClO3/c1-10-11(2)19(21)23-18-8-17-15(7-14(10)18)16(9-22-17)12-3-5-13(20)6-4-12/h3-9H,1-2H3
InChIKeyUFJVVFFKQIOFJU-UHFFFAOYSA-N
MW324.76 g/mol
LogP5.48
Rot. Bonds1

About 3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one

3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one (PubChem CID 707670) has the molecular formula C19H13ClO3 and a molecular weight of 324.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one
PubChem CID707670
Molecular FormulaC19H13ClO3
Molecular Weight324.76 g/mol
Exact Mass324.06
IUPAC Name3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one
SMILESCc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc1=O
InChIInChI=1S/C19H13ClO3/c1-10-11(2)19(21)23-18-8-17-15(7-14(10)18)16(9-22-17)12-3-5-13(20)6-4-12/h3-9H,1-2H3
InChIKeyUFJVVFFKQIOFJU-UHFFFAOYSA-N
XLogP5.48
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.76
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one (CID 707670) is 3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one is Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3cc2oc1=O.
What is the InChIKey of 3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one?
The InChIKey is UFJVVFFKQIOFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClO3/c1-10-11(2)19(21)23-18-8-17-15(7-14(10)18)16(9-22-17)12-3-5-13(20)6-4-12/h3-9H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one?
3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one has a molecular weight of 324.76 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 707670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).