(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone

C16H14ClFO — CID 107998197

IUPAC(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(Cl)c(F)c2)c(C)c1
InChIInChI=1S/C16H14ClFO/c1-9-6-10(2)15(11(3)7-9)16(19)12-4-5-13(17)14(18)8-12/h4-8H,1-3H3
InChIKeyBWJFVDFVDCHQFE-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.64
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone

(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 107998197) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID107998197
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(Cl)c(F)c2)c(C)c1
InChIInChI=1S/C16H14ClFO/c1-9-6-10(2)15(11(3)7-9)16(19)12-4-5-13(17)14(18)8-12/h4-8H,1-3H3
InChIKeyBWJFVDFVDCHQFE-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 107998445
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107475846
(4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883146
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
(2,3,6-trichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 172843385
4-chloro-3-fluorobenzoic acid
CID 2736536
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
1-(4-chloro-3-fluorophenyl)butan-1-one
CID 70297429

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone (CID 107998197) is (4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccc(Cl)c(F)c2)c(C)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is BWJFVDFVDCHQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-9-6-10(2)15(11(3)7-9)16(19)12-4-5-13(17)14(18)8-12/h4-8H,1-3H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone?
(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 276.74 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 107998197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).