ethyl 4-phenylcyclohexane-1-carboxylate

C15H20O2 — CID 15047124

IUPACethyl 4-phenylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20O2/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyRXZQXCDREMYXCX-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.52
Rot. Bonds3

About ethyl 4-phenylcyclohexane-1-carboxylate

ethyl 4-phenylcyclohexane-1-carboxylate (PubChem CID 15047124) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl 4-phenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenylcyclohexane-1-carboxylate
PubChem CID15047124
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethyl 4-phenylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20O2/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyRXZQXCDREMYXCX-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-oxo-4-(4-phenylcyclohexyl)butanoate
CID 174381996
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethane;ethyl 4-[4-(methylaminomethyl)phenyl]cyclohexane-1-carboxylate
CID 142495341
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
ethyl (2R)-1-(4-phenylcyclohexyl)piperidine-2-carboxylate
CID 784294
ethyl 4-oxocyclohexane-1-carboxylate;toluene
CID 174392547
cyclopropylbenzene;ethylhydrazine
CID 22346635
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethenyl 4-phenylcyclohexane-1-carboxylate
CID 134225894
1H-1,2,4-triazol-5-ylmethyl 4-phenylcyclohexane-1-carboxylate
CID 154763552
ethyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 153349946
ethyl 4-(6-chloro-2-pyridinyl)cyclohexane-1-carboxylate
CID 58485016

Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-phenylcyclohexane-1-carboxylate (CID 15047124) is ethyl 4-phenylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-phenylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-phenylcyclohexane-1-carboxylate is CCOC(=O)C1CCC(c2ccccc2)CC1.
What is the InChIKey of ethyl 4-phenylcyclohexane-1-carboxylate?
The InChIKey is RXZQXCDREMYXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-17-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3.
What are the key properties of ethyl 4-phenylcyclohexane-1-carboxylate?
ethyl 4-phenylcyclohexane-1-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenylcyclohexane-1-carboxylate is sourced from PubChem (CID 15047124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).