ethyl (2S)-2-phenylcyclohexane-1-carboxylate

C15H20O2 — CID 101094608

IUPACethyl (2S)-2-phenylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3/t13-,14?/m1/s1
InChIKeyAYKOYYPHXSQPOU-KWCCSABGSA-N
MW232.32 g/mol
LogP3.52
Rot. Bonds3

About ethyl (2S)-2-phenylcyclohexane-1-carboxylate

ethyl (2S)-2-phenylcyclohexane-1-carboxylate (PubChem CID 101094608) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl (2S)-2-phenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-phenylcyclohexane-1-carboxylate
PubChem CID101094608
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethyl (2S)-2-phenylcyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3/t13-,14?/m1/s1
InChIKeyAYKOYYPHXSQPOU-KWCCSABGSA-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

2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
trans-ethyl (1R,2R)-4,4-difluoro-2-phenylcyclohexane-1-carboxylate
CID 156633883
ethyl (2S,3R)-2-phenylpyrrolidine-3-carboxylate
CID 96575888
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444
ethyl 2-benzoylsulfanylcyclohexane-1-carboxylate
CID 134280836
cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate
CID 135033787
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
(4-ethylphenyl)-(2-phenylcyclohexyl)methanone
CID 144802014
ethyl (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
CID 12922289
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-phenylcyclohexane-1-carboxylate?
The IUPAC name of ethyl (2S)-2-phenylcyclohexane-1-carboxylate (CID 101094608) is ethyl (2S)-2-phenylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-phenylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-phenylcyclohexane-1-carboxylate is CCOC(=O)C1CCCC[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (2S)-2-phenylcyclohexane-1-carboxylate?
The InChIKey is AYKOYYPHXSQPOU-KWCCSABGSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3/t13-,14?/m1/s1.
What are the key properties of ethyl (2S)-2-phenylcyclohexane-1-carboxylate?
ethyl (2S)-2-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 (2S)-2-phenylcyclohexane-1-carboxylate is sourced from PubChem (CID 101094608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).