(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

C16H14ClFO2 — CID 83057194

IUPAC(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2ccc(Cl)cc2F)cc1C
InChIInChI=1S/C16H14ClFO2/c1-9-6-11(7-10(2)16(9)20-3)15(19)13-5-4-12(17)8-14(13)18/h4-8H,1-3H3
InChIKeyOSLBTQKGSQDVLD-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.34
Rot. Bonds3

About (4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 83057194) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID83057194
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2ccc(Cl)cc2F)cc1C
InChIInChI=1S/C16H14ClFO2/c1-9-6-11(7-10(2)16(9)20-3)15(19)13-5-4-12(17)8-14(13)18/h4-8H,1-3H3
InChIKeyOSLBTQKGSQDVLD-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 65440857
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (CID 83057194) is (4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)c2ccc(Cl)cc2F)cc1C.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is OSLBTQKGSQDVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-9-6-11(7-10(2)16(9)20-3)15(19)13-5-4-12(17)8-14(13)18/h4-8H,1-3H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 292.74 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 83057194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).