2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane

C13H18O2 — CID 83932245

IUPAC2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane
SMILESCCOc1ccc(CCC2OC2C)cc1
InChIInChI=1S/C13H18O2/c1-3-14-12-7-4-11(5-8-12)6-9-13-10(2)15-13/h4-5,7-8,10,13H,3,6,9H2,1-2H3
InChIKeyRNYYNVHIZPAWSN-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane

2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane (PubChem CID 83932245) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane
PubChem CID83932245
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane
SMILESCCOc1ccc(CCC2OC2C)cc1
InChIInChI=1S/C13H18O2/c1-3-14-12-7-4-11(5-8-12)6-9-13-10(2)15-13/h4-5,7-8,10,13H,3,6,9H2,1-2H3
InChIKeyRNYYNVHIZPAWSN-UHFFFAOYSA-N
XLogP2.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.81
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

3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine
CID 116685857
(4-ethoxyphenyl)-dimethyl-silylsilane
CID 123596716
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
4-(4-ethoxyphenyl)butane-1-thiol
CID 94681692
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83932252
2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane
CID 83940889
1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene
CID 18656366
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335
6-ethoxy-2-[(4-propylphenoxy)methyl]-1-benzothiophene
CID 140923523

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane?
The IUPAC name of 2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane (CID 83932245) is 2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane is CCOc1ccc(CCC2OC2C)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane?
The InChIKey is RNYYNVHIZPAWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-14-12-7-4-11(5-8-12)6-9-13-10(2)15-13/h4-5,7-8,10,13H,3,6,9H2,1-2H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane?
2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane has a molecular weight of 206.28 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane is sourced from PubChem (CID 83932245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).