(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone

C15H20O — CID 107186866

IUPAC(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone
SMILESCc1cccc(C(=O)C2CCCC2C)c1C
InChIInChI=1S/C15H20O/c1-10-6-4-9-14(12(10)3)15(16)13-8-5-7-11(13)2/h4,6,9,11,13H,5,7-8H2,1-3H3
InChIKeyUXCGIQFJOYWIDM-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.92
Rot. Bonds2

About (2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone

(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone (PubChem CID 107186866) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone
PubChem CID107186866
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone
SMILESCc1cccc(C(=O)C2CCCC2C)c1C
InChIInChI=1S/C15H20O/c1-10-6-4-9-14(12(10)3)15(16)13-8-5-7-11(13)2/h4,6,9,11,13H,5,7-8H2,1-3H3
InChIKeyUXCGIQFJOYWIDM-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-(2,3-dimethylbenzoyl)cyclopentane-1-carboxylic acid
CID 90476274
[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone
CID 116584561
cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
CID 24722312
(2-amino-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 130785485
cis-(1R,2S)-2-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722414
(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone
CID 107176655
2,2-di(cyclobutyl)-1-(2,3-dimethylphenyl)ethanone
CID 112743626
(2,3-dimethylphenyl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944535
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
3-(2,3-dimethylbenzoyl)cyclohexan-1-one
CID 79625320
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
CID 107176233

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone (CID 107186866) is (2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone is Cc1cccc(C(=O)C2CCCC2C)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone?
The InChIKey is UXCGIQFJOYWIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10-6-4-9-14(12(10)3)15(16)13-8-5-7-11(13)2/h4,6,9,11,13H,5,7-8H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone?
(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone has a molecular weight of 216.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107186866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).