1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone

C15H20O — CID 107179336

IUPAC1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CCCC2C)cc1
InChIInChI=1S/C15H20O/c1-11-6-8-13(9-7-11)10-15(16)14-5-3-4-12(14)2/h6-9,12,14H,3-5,10H2,1-2H3
InChIKeyLZNHGQLBRYVUHJ-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.54
Rot. Bonds3

About 1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone

1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone (PubChem CID 107179336) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
PubChem CID107179336
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CCCC2C)cc1
InChIInChI=1S/C15H20O/c1-11-6-8-13(9-7-11)10-15(16)14-5-3-4-12(14)2/h6-9,12,14H,3-5,10H2,1-2H3
InChIKeyLZNHGQLBRYVUHJ-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Lilial
CID 228987
Cyclamen aldehyde
CID 517827
Benzyl acetone
CID 17355
2-Phenylpropanal
CID 7146
Phenylacetone
CID 7678
p-METHYLACETOPHENONE
CID 8500
2-Indanone
CID 11983
4-Isopropylacetophenone
CID 12578
2-Methyl-3-(p-tolyl)propanal
CID 95594
4-Methyl-1-phenyl-2-pentanone
CID 219672
4'-Ethylacetophenone
CID 13642
1-(4-Ethylphenyl)propan-1-one
CID 583750

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone (CID 107179336) is 1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2CCCC2C)cc1.
What is the InChIKey of 1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone?
The InChIKey is LZNHGQLBRYVUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-6-8-13(9-7-11)10-15(16)14-5-3-4-12(14)2/h6-9,12,14H,3-5,10H2,1-2H3.
What are the key properties of 1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone?
1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone has a molecular weight of 216.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 107179336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).