(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone

C15H12ClFO — CID 79736289

IUPAC(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(C)c(Cl)c2)ccc1F
InChIInChI=1S/C15H12ClFO/c1-9-3-4-12(8-13(9)16)15(18)11-5-6-14(17)10(2)7-11/h3-8H,1-2H3
InChIKeySIIRXTVZFSRIED-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.33
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone

(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 79736289) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID79736289
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(C)c(Cl)c2)ccc1F
InChIInChI=1S/C15H12ClFO/c1-9-3-4-12(8-13(9)16)15(18)11-5-6-14(17)10(2)7-11/h3-8H,1-2H3
InChIKeySIIRXTVZFSRIED-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(4-fluoro-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 82081761
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736594
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
CID 62789749
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone (CID 79736289) is (3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2ccc(C)c(Cl)c2)ccc1F.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is SIIRXTVZFSRIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-9-3-4-12(8-13(9)16)15(18)11-5-6-14(17)10(2)7-11/h3-8H,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone?
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 262.71 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 79736289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).