ethyl 3-phenyloxirane-2-carboxylate

C11H12O3 — CID 8469

IUPACethyl 3-phenyloxirane-2-carboxylate
SMILESCCOC(=O)C1OC1c1ccccc1
InChIInChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChIKeyGOMAKLPNAAZVCJ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.69
Rot. Bonds3

About ethyl 3-phenyloxirane-2-carboxylate

ethyl 3-phenyloxirane-2-carboxylate (PubChem CID 8469) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethyl 3-phenyloxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyloxirane-2-carboxylate
PubChem CID8469
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameethyl 3-phenyloxirane-2-carboxylate
SMILESCCOC(=O)C1OC1c1ccccc1
InChIInChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChIKeyGOMAKLPNAAZVCJ-UHFFFAOYSA-N
XLogP1.69
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3-methyl-3-phenylglycidate
CID 6501
1-Phenylethyl propionate
CID 8432
Methoxyphenylacetic acid
CID 107202
alpha-Methylbenzyl butyrate
CID 570574
Benzyl laurate
CID 8791
1-Phenylpropyl butyrate
CID 61447
Ethyl 3-methyl-3-(p-tolyl)glycidate
CID 5362581
Benzyl octanoate
CID 82511
Benzyl lactate
CID 98054
Benzyl caprate
CID 562246
METHYL beta-PHENYLGLYCIDATE
CID 86834
Ethyl 3-phenylhydracrylate, (+-)-
CID 99818

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyloxirane-2-carboxylate?
The IUPAC name of ethyl 3-phenyloxirane-2-carboxylate (CID 8469) is ethyl 3-phenyloxirane-2-carboxylate.
What is the SMILES notation for ethyl 3-phenyloxirane-2-carboxylate?
The canonical SMILES for ethyl 3-phenyloxirane-2-carboxylate is CCOC(=O)C1OC1c1ccccc1.
What is the InChIKey of ethyl 3-phenyloxirane-2-carboxylate?
The InChIKey is GOMAKLPNAAZVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3.
What are the key properties of ethyl 3-phenyloxirane-2-carboxylate?
ethyl 3-phenyloxirane-2-carboxylate has a molecular weight of 192.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyloxirane-2-carboxylate is sourced from PubChem (CID 8469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).