(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone

C15H12ClFO2 — CID 113241963

IUPAC(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H12ClFO2/c1-9-6-7-10(8-11(9)16)15(18)14-12(17)4-3-5-13(14)19-2/h3-8H,1-2H3
InChIKeyKETKJYMWRUALQJ-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.03
Rot. Bonds3

About (3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone

(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone (PubChem CID 113241963) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
PubChem CID113241963
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H12ClFO2/c1-9-6-7-10(8-11(9)16)15(18)14-12(17)4-3-5-13(14)19-2/h3-8H,1-2H3
InChIKeyKETKJYMWRUALQJ-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379564
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114558708
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 115813439

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone (CID 113241963) is (3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone is COc1cccc(F)c1C(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone?
The InChIKey is KETKJYMWRUALQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-9-6-7-10(8-11(9)16)15(18)14-12(17)4-3-5-13(14)19-2/h3-8H,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone?
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone has a molecular weight of 278.71 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 113241963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).