3-methyl-1-(1-phenylcyclopentyl)pentan-1-one

C17H24O — CID 55179619

IUPAC3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
SMILESCCC(C)CC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H24O/c1-3-14(2)13-16(18)17(11-7-8-12-17)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3
InChIKeyZGJHKTMDWPFAEZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.50
Rot. Bonds5

About 3-methyl-1-(1-phenylcyclopentyl)pentan-1-one

3-methyl-1-(1-phenylcyclopentyl)pentan-1-one (PubChem CID 55179619) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-1-(1-phenylcyclopentyl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
PubChem CID55179619
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
SMILESCCC(C)CC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H24O/c1-3-14(2)13-16(18)17(11-7-8-12-17)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3
InChIKeyZGJHKTMDWPFAEZ-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(1-phenylcyclopentyl)hexan-1-one
CID 63410458
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
CID 114473546
2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone
CID 130330381
[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid
CID 69250269
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone
CID 130330384
(2S)-3-methyl-2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 61173965
1-(1-phenylcyclobutyl)pent-3-yn-1-one
CID 63078433

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-phenylcyclopentyl)pentan-1-one?
The IUPAC name of 3-methyl-1-(1-phenylcyclopentyl)pentan-1-one (CID 55179619) is 3-methyl-1-(1-phenylcyclopentyl)pentan-1-one.
What is the SMILES notation for 3-methyl-1-(1-phenylcyclopentyl)pentan-1-one?
The canonical SMILES for 3-methyl-1-(1-phenylcyclopentyl)pentan-1-one is CCC(C)CC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 3-methyl-1-(1-phenylcyclopentyl)pentan-1-one?
The InChIKey is ZGJHKTMDWPFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-14(2)13-16(18)17(11-7-8-12-17)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3.
What are the key properties of 3-methyl-1-(1-phenylcyclopentyl)pentan-1-one?
3-methyl-1-(1-phenylcyclopentyl)pentan-1-one has a molecular weight of 244.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-phenylcyclopentyl)pentan-1-one is sourced from PubChem (CID 55179619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).