ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate

C17H24O3 — CID 12565684

IUPACethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)CC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24O3/c1-2-20-16(18)13-17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,19H,2,4,7-8,11-13H2,1H3
InChIKeyCLACZGYNDDXXIV-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.41
Rot. Bonds5

About ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate

ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate (PubChem CID 12565684) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
PubChem CID12565684
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Nameethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)CC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24O3/c1-2-20-16(18)13-17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,19H,2,4,7-8,11-13H2,1H3
InChIKeyCLACZGYNDDXXIV-UHFFFAOYSA-N
XLogP3.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-cyano-3-cyclohexyl-3-phenylpropanoate
CID 22718294
ethyl 2-cyclohexyl-2-hydroxy-3,4-dimethyl-4-phenylpentanoate
CID 174492804
(E)-1-cyclohexyl-1-phenyl-3-triethylsilylpent-3-en-1-ol
CID 135061732
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate
CID 10172125
3-cyclohexyl-3-hydroxy-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 11702664
5-cyclohexyl-5-hydroxy-5-phenylpent-2-enoic acid
CID 71390062
3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 82049889
ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 68952925
(E)-1-cyclohexyl-5-methyl-1-phenyl-3-triethylsilylhex-3-en-1-ol
CID 135062450
diethyl 2-[(1R)-3-oxocyclohexyl]-2-phenylpropanedioate
CID 135021532

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate?
The IUPAC name of ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate (CID 12565684) is ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate is CCOC(=O)CC(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate?
The InChIKey is CLACZGYNDDXXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-20-16(18)13-17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,19H,2,4,7-8,11-13H2,1H3.
What are the key properties of ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate?
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate has a molecular weight of 276.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 12565684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).