ethyl (3S)-3-cyclohexyl-3-phenylpropanoate

C17H24O2 — CID 125468052

IUPACethyl (3S)-3-cyclohexyl-3-phenylpropanoate
SMILESCCOC(=O)C[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24O2/c1-2-19-17(18)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3/t16-/m1/s1
InChIKeyWAOUHWOCVOFREP-MRXNPFEDSA-N
MW260.38 g/mol
LogP4.30
Rot. Bonds5

About ethyl (3S)-3-cyclohexyl-3-phenylpropanoate

ethyl (3S)-3-cyclohexyl-3-phenylpropanoate (PubChem CID 125468052) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethyl (3S)-3-cyclohexyl-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-cyclohexyl-3-phenylpropanoate
PubChem CID125468052
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nameethyl (3S)-3-cyclohexyl-3-phenylpropanoate
SMILESCCOC(=O)C[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24O2/c1-2-19-17(18)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3/t16-/m1/s1
InChIKeyWAOUHWOCVOFREP-MRXNPFEDSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-3-(benzhydrylamino)-3-cyclohexylpropanoate
CID 102531001
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate
CID 118653603
ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
CID 18071355
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
3-cyclopentyl-3-(4-methylphenyl)propanamide
CID 19938383
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate
CID 51957752
ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate
CID 176905020
(1R,5R)-1,5-dicyclopentyl-1,5-bis(4-methylphenyl)pentan-3-one
CID 97304287

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-cyclohexyl-3-phenylpropanoate?
The IUPAC name of ethyl (3S)-3-cyclohexyl-3-phenylpropanoate (CID 125468052) is ethyl (3S)-3-cyclohexyl-3-phenylpropanoate.
What is the SMILES notation for ethyl (3S)-3-cyclohexyl-3-phenylpropanoate?
The canonical SMILES for ethyl (3S)-3-cyclohexyl-3-phenylpropanoate is CCOC(=O)C[C@H](c1ccccc1)C1CCCCC1.
What is the InChIKey of ethyl (3S)-3-cyclohexyl-3-phenylpropanoate?
The InChIKey is WAOUHWOCVOFREP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-19-17(18)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3/t16-/m1/s1.
What are the key properties of ethyl (3S)-3-cyclohexyl-3-phenylpropanoate?
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate has a molecular weight of 260.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-cyclohexyl-3-phenylpropanoate is sourced from PubChem (CID 125468052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).