(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone

C15H12F2O — CID 583629

IUPAC(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C15H12F2O/c1-9-3-4-11(7-10(9)2)15(18)12-5-6-13(16)14(17)8-12/h3-8H,1-2H3
InChIKeyUKLQXTUAGNBOLN-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.81
Rot. Bonds2

About (3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone

(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone (PubChem CID 583629) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
PubChem CID583629
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C15H12F2O/c1-9-3-4-11(7-10(9)2)15(18)12-5-6-13(16)14(17)8-12/h3-8H,1-2H3
InChIKeyUKLQXTUAGNBOLN-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
(3,4-difluorophenyl)-(4-iodophenyl)methanone
CID 24723141
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
(4-fluoro-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 82081761
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111
(3,4-difluorophenyl)-(3,4-dihydroxyphenyl)methanone
CID 117000378
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone (CID 583629) is (3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2ccc(F)c(F)c2)cc1C.
What is the InChIKey of (3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone?
The InChIKey is UKLQXTUAGNBOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-9-3-4-11(7-10(9)2)15(18)12-5-6-13(16)14(17)8-12/h3-8H,1-2H3.
What are the key properties of (3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone?
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone has a molecular weight of 246.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 583629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).