8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one

C17H12ClFO3 — CID 146460254

IUPAC8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one
SMILESCOc1cc(C)cc(F)c1-c1cc(=O)c2cccc(Cl)c2o1
InChIInChI=1S/C17H12ClFO3/c1-9-6-12(19)16(14(7-9)21-2)15-8-13(20)10-4-3-5-11(18)17(10)22-15/h3-8H,1-2H3
InChIKeyNNXWALVOPFOYDG-UHFFFAOYSA-N
MW318.73 g/mol
LogP4.57
Rot. Bonds2

About 8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one

8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one (PubChem CID 146460254) has the molecular formula C17H12ClFO3 and a molecular weight of 318.73 g/mol. Its IUPAC name is 8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one
PubChem CID146460254
Molecular FormulaC17H12ClFO3
Molecular Weight318.73 g/mol
Exact Mass318.05
IUPAC Name8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one
SMILESCOc1cc(C)cc(F)c1-c1cc(=O)c2cccc(Cl)c2o1
InChIInChI=1S/C17H12ClFO3/c1-9-6-12(19)16(14(7-9)21-2)15-8-13(20)10-4-3-5-11(18)17(10)22-15/h3-8H,1-2H3
InChIKeyNNXWALVOPFOYDG-UHFFFAOYSA-N
XLogP4.57
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one?
The IUPAC name of 8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one (CID 146460254) is 8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one.
What is the SMILES notation for 8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one?
The canonical SMILES for 8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one is COc1cc(C)cc(F)c1-c1cc(=O)c2cccc(Cl)c2o1.
What is the InChIKey of 8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one?
The InChIKey is NNXWALVOPFOYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFO3/c1-9-6-12(19)16(14(7-9)21-2)15-8-13(20)10-4-3-5-11(18)17(10)22-15/h3-8H,1-2H3.
What are the key properties of 8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one?
8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one has a molecular weight of 318.73 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-fluoro-6-methoxy-4-methylphenyl)chromen-4-one is sourced from PubChem (CID 146460254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).