2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane

C15H22O2 — CID 83940889

IUPAC2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane
SMILESCCOc1cc(C)c(CCC2OC2C)cc1C
InChIInChI=1S/C15H22O2/c1-5-16-15-9-10(2)13(8-11(15)3)6-7-14-12(4)17-14/h8-9,12,14H,5-7H2,1-4H3
InChIKeyZNXQDCGUJDNZCP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane

2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane (PubChem CID 83940889) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane
PubChem CID83940889
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane
SMILESCCOc1cc(C)c(CCC2OC2C)cc1C
InChIInChI=1S/C15H22O2/c1-5-16-15-9-10(2)13(8-11(15)3)6-7-14-12(4)17-14/h8-9,12,14H,5-7H2,1-4H3
InChIKeyZNXQDCGUJDNZCP-UHFFFAOYSA-N
XLogP3.42
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-bromo-2,4-diethoxyphenyl)ethyl]-3-methyloxirane
CID 83934180
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
2-[2-(2,5-dimethylphenyl)ethyl]-3-methyloxirane
CID 83928166
1-ethoxy-2,5-dimethyl-4-[(Z)-pent-3-enyl]benzene
CID 83940881
methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate
CID 83940906
5-(4-ethoxy-2,5-dimethylphenyl)pentanenitrile
CID 98014651
2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane
CID 83942245
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane
CID 83932245
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
N-[1-(4-ethoxy-2,5-dimethylphenyl)propan-2-yl]cyclopropanamine
CID 112513375
2-(4-ethoxy-3-methylphenyl)-3-methyloxirane
CID 116863457

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane?
The IUPAC name of 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane (CID 83940889) is 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane.
What is the SMILES notation for 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane?
The canonical SMILES for 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane is CCOc1cc(C)c(CCC2OC2C)cc1C.
What is the InChIKey of 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane?
The InChIKey is ZNXQDCGUJDNZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-16-15-9-10(2)13(8-11(15)3)6-7-14-12(4)17-14/h8-9,12,14H,5-7H2,1-4H3.
What are the key properties of 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane?
2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane has a molecular weight of 234.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane is sourced from PubChem (CID 83940889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).