(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone

C15H12ClFO — CID 55186407

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

About (3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone

(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone (PubChem CID 55186407) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
PubChem CID55186407
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClFO/c1-9-5-10(2)7-12(6-9)15(18)11-3-4-14(17)13(16)8-11/h3-8H,1-2H3
InChIKeySZWVPUNODAVTIH-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

bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 103214281
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262863
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
bis(3,5-dimethylphenyl)methanone
CID 15640171
(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 116609737

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone (CID 55186407) is (3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone?
The InChIKey is SZWVPUNODAVTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-9-5-10(2)7-12(6-9)15(18)11-3-4-14(17)13(16)8-11/h3-8H,1-2H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone?
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)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-fluorophenyl)-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 55186407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).