(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone

C16H15FO — CID 43337276

IUPAC(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H15FO/c1-10-4-5-11(2)14(8-10)16(18)13-7-6-12(3)15(17)9-13/h4-9H,1-3H3
InChIKeyBFJHLAGZXUCFEY-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.98
Rot. Bonds2

About (2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone

(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 43337276) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID43337276
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H15FO/c1-10-4-5-11(2)14(8-10)16(18)13-7-6-12(3)15(17)9-13/h4-9H,1-3H3
InChIKeyBFJHLAGZXUCFEY-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

(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
(2,5-dimethylphenyl)-(3-iodophenyl)methanone
CID 43159705
(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 107129703

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone (CID 43337276) is (2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C)c(C(=O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is BFJHLAGZXUCFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-10-4-5-11(2)14(8-10)16(18)13-7-6-12(3)15(17)9-13/h4-9H,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone?
(2,5-dimethylphenyl)-(3-fluoro-4-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 (2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 43337276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).