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

C16H15FO — CID 79020544

IUPAC(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)c1cccc(C)c1C
InChIInChI=1S/C16H15FO/c1-10-5-4-6-15(12(10)3)16(18)14-8-7-13(17)9-11(14)2/h4-9H,1-3H3
InChIKeyZWWLDHVYDOFHNF-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.98
Rot. Bonds2

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

(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 79020544) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID79020544
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)c1cccc(C)c1C
InChIInChI=1S/C16H15FO/c1-10-5-4-6-15(12(10)3)16(18)14-8-7-13(17)9-11(14)2/h4-9H,1-3H3
InChIKeyZWWLDHVYDOFHNF-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-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
N-(4-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7751902
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(4-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 63554344
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 113399947
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone
CID 114068433

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone (CID 79020544) is (2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)c1cccc(C)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is ZWWLDHVYDOFHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-10-5-4-6-15(12(10)3)16(18)14-8-7-13(17)9-11(14)2/h4-9H,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone?
(2,3-dimethylphenyl)-(4-fluoro-2-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 (2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 79020544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).