6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one

C16H10ClFO2 — CID 24720654

IUPAC6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one
SMILESCc1cc(-c2coc3ccc(Cl)cc3c2=O)ccc1F
InChIInChI=1S/C16H10ClFO2/c1-9-6-10(2-4-14(9)18)13-8-20-15-5-3-11(17)7-12(15)16(13)19/h2-8H,1H3
InChIKeyGBTNMYQWRSDGNE-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.56
Rot. Bonds1

About 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one

6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one (PubChem CID 24720654) has the molecular formula C16H10ClFO2 and a molecular weight of 288.71 g/mol. Its IUPAC name is 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one
PubChem CID24720654
Molecular FormulaC16H10ClFO2
Molecular Weight288.71 g/mol
Exact Mass288.04
IUPAC Name6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one
SMILESCc1cc(-c2coc3ccc(Cl)cc3c2=O)ccc1F
InChIInChI=1S/C16H10ClFO2/c1-9-6-10(2-4-14(9)18)13-8-20-15-5-3-11(17)7-12(15)16(13)19/h2-8H,1H3
InChIKeyGBTNMYQWRSDGNE-UHFFFAOYSA-N
XLogP4.56
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one?
The IUPAC name of 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one (CID 24720654) is 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one is Cc1cc(-c2coc3ccc(Cl)cc3c2=O)ccc1F.
What is the InChIKey of 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one?
The InChIKey is GBTNMYQWRSDGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFO2/c1-9-6-10(2-4-14(9)18)13-8-20-15-5-3-11(17)7-12(15)16(13)19/h2-8H,1H3.
What are the key properties of 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one?
6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one has a molecular weight of 288.71 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one is sourced from PubChem (CID 24720654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).