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

C16H15FO — CID 81481355

IUPAC(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(C)c2F)cc1C
InChIInChI=1S/C16H15FO/c1-10-7-8-13(9-12(10)3)16(18)14-6-4-5-11(2)15(14)17/h4-9H,1-3H3
InChIKeyIWSPLMPNFSCWHQ-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.98
Rot. Bonds2

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

(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81481355) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
PubChem CID81481355
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(C)c2F)cc1C
InChIInChI=1S/C16H15FO/c1-10-7-8-13(9-12(10)3)16(18)14-6-4-5-11(2)15(14)17/h4-9H,1-3H3
InChIKeyIWSPLMPNFSCWHQ-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288416
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
azanium;2-(3,4-dimethylbenzoyl)benzoate;dihydrate
CID 139085668
(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone
CID 114975244
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 81481916

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone (CID 81481355) is (3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone is Cc1ccc(C(=O)c2cccc(C)c2F)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is IWSPLMPNFSCWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-10-7-8-13(9-12(10)3)16(18)14-6-4-5-11(2)15(14)17/h4-9H,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone?
(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 242.29 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81481355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).