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

C17H24O2 — CID 15712738

IUPACmethyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC[C@H]1CCCCc1ccccc1
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/t15-,16?/m1/s1
InChIKeyNQYJQTJGKGHITG-AAFJCEBUSA-N
MW260.38 g/mol
LogP3.99
Rot. Bonds6

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

methyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate (PubChem CID 15712738) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is methyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate
PubChem CID15712738
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Namemethyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC[C@H]1CCCCc1ccccc1
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/t15-,16?/m1/s1
InChIKeyNQYJQTJGKGHITG-AAFJCEBUSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate (CID 15712738) is methyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate is COC(=O)C1CCC[C@H]1CCCCc1ccccc1.
What is the InChIKey of methyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate?
The InChIKey is NQYJQTJGKGHITG-AAFJCEBUSA-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/t15-,16?/m1/s1.
What are the key properties of methyl (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate?
methyl (2R)-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 (2R)-2-(4-phenylbutyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 15712738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).