cyclopentyl-(4-pentylphenyl)methanone

C17H24O — CID 146007805

IUPACcyclopentyl-(4-pentylphenyl)methanone
SMILESCCCCCc1ccc(C(=O)C2CCCC2)cc1
InChIInChI=1S/C17H24O/c1-2-3-4-7-14-10-12-16(13-11-14)17(18)15-8-5-6-9-15/h10-13,15H,2-9H2,1H3
InChIKeyZVADTYWNVBFAFD-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.79
Rot. Bonds6

About cyclopentyl-(4-pentylphenyl)methanone

cyclopentyl-(4-pentylphenyl)methanone (PubChem CID 146007805) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is cyclopentyl-(4-pentylphenyl)methanone.

Molecular Properties

Compound Namecyclopentyl-(4-pentylphenyl)methanone
PubChem CID146007805
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Namecyclopentyl-(4-pentylphenyl)methanone
SMILESCCCCCc1ccc(C(=O)C2CCCC2)cc1
InChIInChI=1S/C17H24O/c1-2-3-4-7-14-10-12-16(13-11-14)17(18)15-8-5-6-9-15/h10-13,15H,2-9H2,1H3
InChIKeyZVADTYWNVBFAFD-UHFFFAOYSA-N
XLogP4.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-butylphenyl)-cyclobutylmethanone;ethane
CID 177148339
(4-hexylphenyl)-piperidin-2-ylmethanone
CID 82341686
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
(4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171941188
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
4-pentylbenzoyl bromide
CID 87349955
(4-propan-2-ylcyclohexyl)-(4-propylphenyl)methanone
CID 65425046
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
4-butyl-N-cyclopentylbenzamide
CID 60674795
2-[6-[4-(cyclopropanecarbonyl)phenyl]hexyl]propanedioic acid
CID 67524040
2-(4-pentylphenoxy)ethyl cyclohexanecarboxylate
CID 23271959

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-pentylphenyl)methanone?
The IUPAC name of cyclopentyl-(4-pentylphenyl)methanone (CID 146007805) is cyclopentyl-(4-pentylphenyl)methanone.
What is the SMILES notation for cyclopentyl-(4-pentylphenyl)methanone?
The canonical SMILES for cyclopentyl-(4-pentylphenyl)methanone is CCCCCc1ccc(C(=O)C2CCCC2)cc1.
What is the InChIKey of cyclopentyl-(4-pentylphenyl)methanone?
The InChIKey is ZVADTYWNVBFAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-2-3-4-7-14-10-12-16(13-11-14)17(18)15-8-5-6-9-15/h10-13,15H,2-9H2,1H3.
What are the key properties of cyclopentyl-(4-pentylphenyl)methanone?
cyclopentyl-(4-pentylphenyl)methanone has a molecular weight of 244.38 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-pentylphenyl)methanone is sourced from PubChem (CID 146007805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).