6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one

C23H17ClO3 — CID 102430059

IUPAC6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one
SMILESCOc1ccc(-c2cc3oc(=O)cc(C)c3cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H17ClO3/c1-14-11-23(25)27-22-13-21(16-5-9-18(26-2)10-6-16)20(12-19(14)22)15-3-7-17(24)8-4-15/h3-13H,1-2H3
InChIKeyLEMFWHOWSCHYMC-UHFFFAOYSA-N
MW376.84 g/mol
LogP6.10
Rot. Bonds3

About 6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one

6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one (PubChem CID 102430059) has the molecular formula C23H17ClO3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one
PubChem CID102430059
Molecular FormulaC23H17ClO3
Molecular Weight376.84 g/mol
Exact Mass376.09
IUPAC Name6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one
SMILESCOc1ccc(-c2cc3oc(=O)cc(C)c3cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H17ClO3/c1-14-11-23(25)27-22-13-21(16-5-9-18(26-2)10-6-16)20(12-19(14)22)15-3-7-17(24)8-4-15/h3-13H,1-2H3
InChIKeyLEMFWHOWSCHYMC-UHFFFAOYSA-N
XLogP6.10
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 56.10
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 6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one?
The IUPAC name of 6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one (CID 102430059) is 6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one is COc1ccc(-c2cc3oc(=O)cc(C)c3cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one?
The InChIKey is LEMFWHOWSCHYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClO3/c1-14-11-23(25)27-22-13-21(16-5-9-18(26-2)10-6-16)20(12-19(14)22)15-3-7-17(24)8-4-15/h3-13H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one?
6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one has a molecular weight of 376.84 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-(4-methoxyphenyl)-4-methylchromen-2-one is sourced from PubChem (CID 102430059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).