2-cyclopentyl-1-phenylethanone;hydrochloride

C13H17ClO — CID 174593040

IUPAC2-cyclopentyl-1-phenylethanone;hydrochloride
SMILESCl.O=C(CC1CCCC1)c1ccccc1
InChIInChI=1S/C13H16O.ClH/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12;/h1-3,8-9,11H,4-7,10H2;1H
InChIKeyYMIUCTHNPZDQDO-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.87
Rot. Bonds3

About 2-cyclopentyl-1-phenylethanone;hydrochloride

2-cyclopentyl-1-phenylethanone;hydrochloride (PubChem CID 174593040) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-cyclopentyl-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-1-phenylethanone;hydrochloride
PubChem CID174593040
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name2-cyclopentyl-1-phenylethanone;hydrochloride
SMILESCl.O=C(CC1CCCC1)c1ccccc1
InChIInChI=1S/C13H16O.ClH/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12;/h1-3,8-9,11H,4-7,10H2;1H
InChIKeyYMIUCTHNPZDQDO-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclopentyl-1-phenylethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
2-(3-ethylcyclohexyl)-1-phenylethanone
CID 79428507
3-phenacylcyclohexane-1-carboxylic acid
CID 53436258
2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
CID 10921866
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
1-(4-bromophenyl)-2-cyclobutylethanone
CID 65458564
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid
CID 24722332
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-phenylethanone;hydrochloride?
The IUPAC name of 2-cyclopentyl-1-phenylethanone;hydrochloride (CID 174593040) is 2-cyclopentyl-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-cyclopentyl-1-phenylethanone;hydrochloride is Cl.O=C(CC1CCCC1)c1ccccc1.
What is the InChIKey of 2-cyclopentyl-1-phenylethanone;hydrochloride?
The InChIKey is YMIUCTHNPZDQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.ClH/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12;/h1-3,8-9,11H,4-7,10H2;1H.
What are the key properties of 2-cyclopentyl-1-phenylethanone;hydrochloride?
2-cyclopentyl-1-phenylethanone;hydrochloride has a molecular weight of 224.73 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-phenylethanone;hydrochloride is sourced from PubChem (CID 174593040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).