(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone

C15H12ClFO — CID 64713968

IUPAC(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H12ClFO/c1-9-6-7-10(2)12(8-9)15(18)11-4-3-5-13(16)14(11)17/h3-8H,1-2H3
InChIKeyLCWZUUYVHYDLAE-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.33
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone

(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone (PubChem CID 64713968) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
PubChem CID64713968
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H12ClFO/c1-9-6-7-10(2)12(8-9)15(18)11-4-3-5-13(16)14(11)17/h3-8H,1-2H3
InChIKeyLCWZUUYVHYDLAE-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-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 64712749
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
(3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432923
(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763206
(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
CID 103474439
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348938

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone (CID 64713968) is (3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2cccc(Cl)c2F)c1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone?
The InChIKey is LCWZUUYVHYDLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-9-6-7-10(2)12(8-9)15(18)11-4-3-5-13(16)14(11)17/h3-8H,1-2H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone?
(3-chloro-2-fluorophenyl)-(2,5-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-2-fluorophenyl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 64713968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).