7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one

C27H16ClFO2 — CID 57381719

IUPAC7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(-c3ccc(Cl)cc3)cc(-c3ccc(F)cc3)c12
InChIInChI=1S/C27H16ClFO2/c28-21-10-6-17(7-11-21)20-14-23(18-8-12-22(29)13-9-18)27-24(30)16-25(31-26(27)15-20)19-4-2-1-3-5-19/h1-16H
InChIKeyJTTXMKBBVFMHFP-UHFFFAOYSA-N
MW426.87 g/mol
LogP7.59
Rot. Bonds3

About 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one

7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one (PubChem CID 57381719) has the molecular formula C27H16ClFO2 and a molecular weight of 426.87 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one
PubChem CID57381719
Molecular FormulaC27H16ClFO2
Molecular Weight426.87 g/mol
Exact Mass426.08
IUPAC Name7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(-c3ccc(Cl)cc3)cc(-c3ccc(F)cc3)c12
InChIInChI=1S/C27H16ClFO2/c28-21-10-6-17(7-11-21)20-14-23(18-8-12-22(29)13-9-18)27-24(30)16-25(31-26(27)15-20)19-4-2-1-3-5-19/h1-16H
InChIKeyJTTXMKBBVFMHFP-UHFFFAOYSA-N
XLogP7.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.87
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-diphenylchromen-4-one
CID 71424268
2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one
CID 166442732
2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one
CID 10542280
2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
CID 11426691
6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one
CID 71739419
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855
5,6,7,8-tetrafluoro-2-phenylchromen-4-one
CID 91434765

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one?
The IUPAC name of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one (CID 57381719) is 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one.
What is the SMILES notation for 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one?
The canonical SMILES for 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(-c3ccc(Cl)cc3)cc(-c3ccc(F)cc3)c12.
What is the InChIKey of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one?
The InChIKey is JTTXMKBBVFMHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClFO2/c28-21-10-6-17(7-11-21)20-14-23(18-8-12-22(29)13-9-18)27-24(30)16-25(31-26(27)15-20)19-4-2-1-3-5-19/h1-16H.
What are the key properties of 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one?
7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one has a molecular weight of 426.87 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-(4-fluorophenyl)-2-phenylchromen-4-one is sourced from PubChem (CID 57381719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).