(2-ethylphenyl) oxirane-2-carboxylate

C11H12O3 — CID 56974765

IUPAC(2-ethylphenyl) oxirane-2-carboxylate
SMILESCCc1ccccc1OC(=O)C1CO1
InChIInChI=1S/C11H12O3/c1-2-8-5-3-4-6-9(8)14-11(12)10-7-13-10/h3-6,10H,2,7H2,1H3
InChIKeyJSTQIWJOGGVGQY-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.55
Rot. Bonds3

About (2-ethylphenyl) oxirane-2-carboxylate

(2-ethylphenyl) oxirane-2-carboxylate (PubChem CID 56974765) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2-ethylphenyl) oxirane-2-carboxylate.

Molecular Properties

Compound Name(2-ethylphenyl) oxirane-2-carboxylate
PubChem CID56974765
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(2-ethylphenyl) oxirane-2-carboxylate
SMILESCCc1ccccc1OC(=O)C1CO1
InChIInChI=1S/C11H12O3/c1-2-8-5-3-4-6-9(8)14-11(12)10-7-13-10/h3-6,10H,2,7H2,1H3
InChIKeyJSTQIWJOGGVGQY-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;(2-bromophenyl) oxirane-2-carboxylate;hydride
CID 174897054
(2-ethylphenyl) methyl carbonate
CID 67179071
(2-ethylphenyl) 2,2-dimethylbutanoate
CID 174752063
[2-(oxiran-2-ylmethyl)phenyl] acetate
CID 14713764
bis(2-ethylphenyl) 2,2-dimethylpropanedioate
CID 91723973
carboxy (2-ethylphenyl) carbonate
CID 150563443
4-(2-ethylphenoxy)-4-oxobutanoic acid
CID 54077022
(2-ethylphenyl) 2-methylbut-2-enoate
CID 175294734
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219
(2-ethylphenyl) N-propylcarbamate
CID 127559161
(2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 36664572

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl) oxirane-2-carboxylate?
The IUPAC name of (2-ethylphenyl) oxirane-2-carboxylate (CID 56974765) is (2-ethylphenyl) oxirane-2-carboxylate.
What is the SMILES notation for (2-ethylphenyl) oxirane-2-carboxylate?
The canonical SMILES for (2-ethylphenyl) oxirane-2-carboxylate is CCc1ccccc1OC(=O)C1CO1.
What is the InChIKey of (2-ethylphenyl) oxirane-2-carboxylate?
The InChIKey is JSTQIWJOGGVGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-8-5-3-4-6-9(8)14-11(12)10-7-13-10/h3-6,10H,2,7H2,1H3.
What are the key properties of (2-ethylphenyl) oxirane-2-carboxylate?
(2-ethylphenyl) oxirane-2-carboxylate has a molecular weight of 192.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl) oxirane-2-carboxylate is sourced from PubChem (CID 56974765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).