ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate

C19H24O5 — CID 173220438

IUPACethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate
SMILESCCOC(=O)CCOC(=O)C(O)(c1ccccc1)C1C=CCCC1
InChIInChI=1S/C19H24O5/c1-2-23-17(20)13-14-24-18(21)19(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-7,9-11,16,22H,2,4,8,12-14H2,1H3
InChIKeyPRCAGNJXYPBFHJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.73
Rot. Bonds7

About ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate

ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate (PubChem CID 173220438) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate.

Molecular Properties

Compound Nameethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate
PubChem CID173220438
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Nameethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate
SMILESCCOC(=O)CCOC(=O)C(O)(c1ccccc1)C1C=CCCC1
InChIInChI=1S/C19H24O5/c1-2-23-17(20)13-14-24-18(21)19(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-7,9-11,16,22H,2,4,8,12-14H2,1H3
InChIKeyPRCAGNJXYPBFHJ-UHFFFAOYSA-N
XLogP2.73
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-azabicyclo[2.2.2]octan-3-yl 2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetate
CID 3063754
ethyl 2,2-di(cyclohex-2-en-1-yl)-3-oxobutanoate
CID 11130042
2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70868092
ethyl 5-ethyl-4-oxo-5-phenylheptanoate
CID 66323607
ethyl 3-[3-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxypyrrolidin-1-yl]propanoate;hydrobromide
CID 175811913
diethyl 2-[(Z)-2-(benzenesulfonyl)-2-bromoethenyl]-2-cyclohex-2-en-1-ylpropanedioate
CID 134937656
3-[(2R)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxypropyl-triethylazanium
CID 7377908
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate
CID 116694362
diethyl 2-cyclohex-2-en-1-yl-2-prop-2-enylpropanedioate
CID 11044167
2-cyclohex-2-en-1-yl-2-methylbutanoic acid
CID 112704157
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate?
The IUPAC name of ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate (CID 173220438) is ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate.
What is the SMILES notation for ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate?
The canonical SMILES for ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate is CCOC(=O)CCOC(=O)C(O)(c1ccccc1)C1C=CCCC1.
What is the InChIKey of ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate?
The InChIKey is PRCAGNJXYPBFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-2-23-17(20)13-14-24-18(21)19(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-7,9-11,16,22H,2,4,8,12-14H2,1H3.
What are the key properties of ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate?
ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate has a molecular weight of 332.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetyl)oxypropanoate is sourced from PubChem (CID 173220438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).