ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate

C14H17IO2 — CID 142504179

IUPACethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(I)cc2)CCCC1
InChIInChI=1S/C14H17IO2/c1-2-17-13(16)14(9-3-4-10-14)11-5-7-12(15)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKeyZLKXXKFQCBCOFT-UHFFFAOYSA-N
MW344.19 g/mol
LogP3.67
Rot. Bonds3

About ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate

ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate (PubChem CID 142504179) has the molecular formula C14H17IO2 and a molecular weight of 344.19 g/mol. Its IUPAC name is ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
PubChem CID142504179
Molecular FormulaC14H17IO2
Molecular Weight344.19 g/mol
Exact Mass344.03
IUPAC Nameethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(I)cc2)CCCC1
InChIInChI=1S/C14H17IO2/c1-2-17-13(16)14(9-3-4-10-14)11-5-7-12(15)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKeyZLKXXKFQCBCOFT-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 1-(4-iodophenyl)cyclopentane-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

Related Compounds

ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983
1-(4-iodophenyl)cyclopentane-1-carboxylate
CID 6989662
ethyl 1-[2-(4-iodophenyl)ethyl]cyclohexane-1-carboxylate
CID 147282892
ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
CID 89411934
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
CID 134605040
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
cis-ethyl (1R,3R)-1-(4-fluorophenyl)-3-methylcyclohexane-1-carboxylate
CID 134964324

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate (CID 142504179) is ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate is CCOC(=O)C1(c2ccc(I)cc2)CCCC1.
What is the InChIKey of ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate?
The InChIKey is ZLKXXKFQCBCOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IO2/c1-2-17-13(16)14(9-3-4-10-14)11-5-7-12(15)8-6-11/h5-8H,2-4,9-10H2,1H3.
What are the key properties of ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate?
ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate has a molecular weight of 344.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 142504179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).