methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate

C17H24O2 — CID 70055348

IUPACmethyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1CCCCc1ccccc1
InChIInChI=1S/C17H24O2/c1-19-17(18)16-13-7-12-15(16)11-6-5-10-14-8-3-2-4-9-14/h2-4,8-9,15-16H,5-7,10-13H2,1H3
InChIKeyNQYJQTJGKGHITG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.99
Rot. Bonds6

About methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate

methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate (PubChem CID 70055348) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate
PubChem CID70055348
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Namemethyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1CCCCc1ccccc1
InChIInChI=1S/C17H24O2/c1-19-17(18)16-13-7-12-15(16)11-6-5-10-14-8-3-2-4-9-14/h2-4,8-9,15-16H,5-7,10-13H2,1H3
InChIKeyNQYJQTJGKGHITG-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
CID 142188842
methyl (2S)-2-(4-phenylbut-1-enyl)cyclopentane-1-carboxylate
CID 54553622
2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol
CID 142188732
bis(5-phenylpentyl) cyclohexane-1,2-dicarboxylate
CID 174219135
cis-methyl (1R,2S)-2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]cyclopentane-1-carboxylate
CID 58977714
methyl (2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 15712735
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate
CID 108783643
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid
CID 144709528
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
cis-tert-butyl (1S,2S)-2-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 169232126

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate (CID 70055348) is methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1CCCCc1ccccc1.
What is the InChIKey of methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate?
The InChIKey is NQYJQTJGKGHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-19-17(18)16-13-7-12-15(16)11-6-5-10-14-8-3-2-4-9-14/h2-4,8-9,15-16H,5-7,10-13H2,1H3.
What are the key properties of methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate?
methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate has a molecular weight of 260.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 70055348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).