methyl 1-phenylcyclopentane-1-carboxylate

C13H16O2 — CID 11790325

IUPACmethyl 1-phenylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C13H16O2/c1-15-12(14)13(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyGIBVXUDPIGVGMR-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.67
Rot. Bonds2

About methyl 1-phenylcyclopentane-1-carboxylate

methyl 1-phenylcyclopentane-1-carboxylate (PubChem CID 11790325) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenylcyclopentane-1-carboxylate
PubChem CID11790325
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namemethyl 1-phenylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C13H16O2/c1-15-12(14)13(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyGIBVXUDPIGVGMR-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 1-phenylcyclopentane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-phenylcyclopentane-1-carboxylate (CID 11790325) is methyl 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-phenylcyclopentane-1-carboxylate is COC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of methyl 1-phenylcyclopentane-1-carboxylate?
The InChIKey is GIBVXUDPIGVGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-12(14)13(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of methyl 1-phenylcyclopentane-1-carboxylate?
methyl 1-phenylcyclopentane-1-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 11790325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).