2-ethyl-2-(4-methoxyphenyl)oxirane

C11H14O2 — CID 62772995

IUPAC2-ethyl-2-(4-methoxyphenyl)oxirane
SMILESCCC1(c2ccc(OC)cc2)CO1
InChIInChI=1S/C11H14O2/c1-3-11(8-13-11)9-4-6-10(12-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyNYHDLQXQLXWMKZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.33
Rot. Bonds3

About 2-ethyl-2-(4-methoxyphenyl)oxirane

2-ethyl-2-(4-methoxyphenyl)oxirane (PubChem CID 62772995) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-ethyl-2-(4-methoxyphenyl)oxirane.

Molecular Properties

Compound Name2-ethyl-2-(4-methoxyphenyl)oxirane
PubChem CID62772995
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-ethyl-2-(4-methoxyphenyl)oxirane
SMILESCCC1(c2ccc(OC)cc2)CO1
InChIInChI=1S/C11H14O2/c1-3-11(8-13-11)9-4-6-10(12-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyNYHDLQXQLXWMKZ-UHFFFAOYSA-N
XLogP2.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-(4-methoxyphenyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465
3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine
CID 65004013
2,4-diethyl-4-(4-methoxyphenyl)-2-methyloxane;propane
CID 176659697
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
2-ethyl-5-hydroxy-2-(4-methoxyphenyl)-3H-1-benzofuran-4-carboxylic acid
CID 90000428
methyl 3-ethyl-3-(4-methoxyphenyl)-2-methyloxirane-2-carboxylate
CID 66437616
(6S)-6-(bromomethyl)-6-(4-methoxyphenyl)oxan-2-one
CID 102342730
(5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole
CID 135035333
5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 82098506
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
5,5-bis(4-methoxyphenyl)-2-propyl-4H-1,3-oxazole
CID 141059352

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-methoxyphenyl)oxirane?
The IUPAC name of 2-ethyl-2-(4-methoxyphenyl)oxirane (CID 62772995) is 2-ethyl-2-(4-methoxyphenyl)oxirane.
What is the SMILES notation for 2-ethyl-2-(4-methoxyphenyl)oxirane?
The canonical SMILES for 2-ethyl-2-(4-methoxyphenyl)oxirane is CCC1(c2ccc(OC)cc2)CO1.
What is the InChIKey of 2-ethyl-2-(4-methoxyphenyl)oxirane?
The InChIKey is NYHDLQXQLXWMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-11(8-13-11)9-4-6-10(12-2)7-5-9/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-ethyl-2-(4-methoxyphenyl)oxirane?
2-ethyl-2-(4-methoxyphenyl)oxirane has a molecular weight of 178.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-methoxyphenyl)oxirane is sourced from PubChem (CID 62772995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).