(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone

C16H14F2O — CID 107515111

IUPAC(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c(F)c2F)cc1C
InChIInChI=1S/C16H14F2O/c1-9-4-6-12(8-11(9)3)16(19)13-7-5-10(2)14(17)15(13)18/h4-8H,1-3H3
InChIKeyDHDBIPCGFZFKTO-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.12
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone

(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone (PubChem CID 107515111) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
PubChem CID107515111
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c(F)c2F)cc1C
InChIInChI=1S/C16H14F2O/c1-9-4-6-12(8-11(9)3)16(19)13-7-5-10(2)14(17)15(13)18/h4-8H,1-3H3
InChIKeyDHDBIPCGFZFKTO-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481355
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43337407
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108542898
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone (CID 107515111) is (2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C)c(F)c2F)cc1C.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone?
The InChIKey is DHDBIPCGFZFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-9-4-6-12(8-11(9)3)16(19)13-7-5-10(2)14(17)15(13)18/h4-8H,1-3H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone?
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone has a molecular weight of 260.28 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 107515111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).