(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

C17H24O — CID 114962620

IUPAC(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCc1cccc(C(=O)C2(CC(C)C)CCCC2)c1
InChIInChI=1S/C17H24O/c1-13(2)12-17(9-4-5-10-17)16(18)15-8-6-7-14(3)11-15/h6-8,11,13H,4-5,9-10,12H2,1-3H3
InChIKeyFGTKIYKVBSQZMC-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.78
Rot. Bonds4

About (3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone

(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 114962620) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID114962620
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCc1cccc(C(=O)C2(CC(C)C)CCCC2)c1
InChIInChI=1S/C17H24O/c1-13(2)12-17(9-4-5-10-17)16(18)15-8-6-7-14(3)11-15/h6-8,11,13H,4-5,9-10,12H2,1-3H3
InChIKeyFGTKIYKVBSQZMC-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970137
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
[2-methyl-2-(2-methylpropyl)cyclopentyl] 3-methylbenzoate
CID 91524771
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106877039
(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970598
1-(3-methylbenzoyl)cyclopentane-1-carbonitrile
CID 102358495
(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79058233
methyl 1-(3-methylbenzoyl)cyclobutane-1-carboxylate
CID 116922080
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 65238537

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of (3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone (CID 114962620) is (3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for (3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for (3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is Cc1cccc(C(=O)C2(CC(C)C)CCCC2)c1.
What is the InChIKey of (3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is FGTKIYKVBSQZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-13(2)12-17(9-4-5-10-17)16(18)15-8-6-7-14(3)11-15/h6-8,11,13H,4-5,9-10,12H2,1-3H3.
What are the key properties of (3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone?
(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 244.38 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 114962620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).