(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone

C15H12F2O — CID 43337256

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

About (3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone

(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone (PubChem CID 43337256) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
PubChem CID43337256
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2O/c1-9-3-4-10(2)12(7-9)15(18)11-5-6-13(16)14(17)8-11/h3-8H,1-2H3
InChIKeyXBMHNOYMYWTXQG-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

(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161396
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(2,5-dimethylphenyl)-(3-iodophenyl)methanone
CID 43159705
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337272
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883185

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone (CID 43337256) is (3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of (3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone?
The InChIKey is XBMHNOYMYWTXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-9-3-4-10(2)12(7-9)15(18)11-5-6-13(16)14(17)8-11/h3-8H,1-2H3.
What are the key properties of (3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone?
(3,4-difluorophenyl)-(2,5-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)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 43337256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).