6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one

C23H17ClO2 — CID 71549344

IUPAC6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClO2/c1-14-12-20-23(15(2)22(14)17-8-10-18(24)11-9-17)19(13-21(25)26-20)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeySTOLJQNAWOSACU-UHFFFAOYSA-N
MW360.84 g/mol
LogP6.40
Rot. Bonds2

About 6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one

6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one (PubChem CID 71549344) has the molecular formula C23H17ClO2 and a molecular weight of 360.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one
PubChem CID71549344
Molecular FormulaC23H17ClO2
Molecular Weight360.84 g/mol
Exact Mass360.09
IUPAC Name6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClO2/c1-14-12-20-23(15(2)22(14)17-8-10-18(24)11-9-17)19(13-21(25)26-20)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeySTOLJQNAWOSACU-UHFFFAOYSA-N
XLogP6.40
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-5,7-dimethyl-4-phenylchromen-2-one?
The IUPAC name of 6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one (CID 71549344) is 6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one is Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one?
The InChIKey is STOLJQNAWOSACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClO2/c1-14-12-20-23(15(2)22(14)17-8-10-18(24)11-9-17)19(13-21(25)26-20)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one?
6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one has a molecular weight of 360.84 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5,7-dimethyl-4-phenylchromen-2-one is sourced from PubChem (CID 71549344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).