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

C15H20O2 — CID 15029975

IUPACethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(C)cc2)CCCC1
InChIInChI=1S/C15H20O2/c1-3-17-14(16)15(10-4-5-11-15)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3
InChIKeyKWTBYHKOFJTGCO-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.37
Rot. Bonds3

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

ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate (PubChem CID 15029975) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
PubChem CID15029975
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(C)cc2)CCCC1
InChIInChI=1S/C15H20O2/c1-3-17-14(16)15(10-4-5-11-15)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3
InChIKeyKWTBYHKOFJTGCO-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983
ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
CID 142504179
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
CID 89411934
ethyl 1-(4-methylphenyl)-2-oxocyclohexane-1-carboxylate
CID 11402717
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
CID 54889893
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate (CID 15029975) is ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate is CCOC(=O)C1(c2ccc(C)cc2)CCCC1.
What is the InChIKey of ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate?
The InChIKey is KWTBYHKOFJTGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-17-14(16)15(10-4-5-11-15)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate?
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 15029975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).