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

C15H12ClFO — CID 43339976

IUPAC(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)ccc2F)cc1C
InChIInChI=1S/C15H12ClFO/c1-9-3-4-11(7-10(9)2)15(18)13-8-12(16)5-6-14(13)17/h3-8H,1-2H3
InChIKeyRBFZAIZPKAQWRX-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.33
Rot. Bonds2

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

(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone (PubChem CID 43339976) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
PubChem CID43339976
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)ccc2F)cc1C
InChIInChI=1S/C15H12ClFO/c1-9-3-4-11(7-10(9)2)15(18)13-8-12(16)5-6-14(13)17/h3-8H,1-2H3
InChIKeyRBFZAIZPKAQWRX-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

(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481355
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone (CID 43339976) is (5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2cc(Cl)ccc2F)cc1C.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone?
The InChIKey is RBFZAIZPKAQWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-9-3-4-11(7-10(9)2)15(18)13-8-12(16)5-6-14(13)17/h3-8H,1-2H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone?
(5-chloro-2-fluorophenyl)-(3,4-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 (5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 43339976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).