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

C15H19FO — CID 107176582

IUPAC(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone
SMILESCc1cc(C(=O)C2CCCC2C)cc(C)c1F
InChIInChI=1S/C15H19FO/c1-9-5-4-6-13(9)15(17)12-7-10(2)14(16)11(3)8-12/h7-9,13H,4-6H2,1-3H3
InChIKeyDKSMYGXIVHUDMW-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.06
Rot. Bonds2

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

(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone (PubChem CID 107176582) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone
PubChem CID107176582
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone
SMILESCc1cc(C(=O)C2CCCC2C)cc(C)c1F
InChIInChI=1S/C15H19FO/c1-9-5-4-6-13(9)15(17)12-7-10(2)14(16)11(3)8-12/h7-9,13H,4-6H2,1-3H3
InChIKeyDKSMYGXIVHUDMW-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298882
2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114392026
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone
CID 107176655
(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone
CID 107186922
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
CID 107176233
(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176355
2-(3,4,5-trifluorobenzoyl)cyclohexane-1-carboxylic acid
CID 146004587
(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone
CID 107186866
1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one
CID 107176513
cyclohexen-1-yl-(2-methylcyclopentyl)methanone
CID 107176498
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone (CID 107176582) is (4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone is Cc1cc(C(=O)C2CCCC2C)cc(C)c1F.
What is the InChIKey of (4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone?
The InChIKey is DKSMYGXIVHUDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c1-9-5-4-6-13(9)15(17)12-7-10(2)14(16)11(3)8-12/h7-9,13H,4-6H2,1-3H3.
What are the key properties of (4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone?
(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone has a molecular weight of 234.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107176582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).