3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane

C13H18O2 — CID 116864041

IUPAC3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane
SMILESCCc1cc(C2OC2(C)C)ccc1OC
InChIInChI=1S/C13H18O2/c1-5-9-8-10(6-7-11(9)14-4)12-13(2,3)15-12/h6-8,12H,5H2,1-4H3
InChIKeyUKUPUSQJMKDLDV-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.11
Rot. Bonds3

About 3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane

3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane (PubChem CID 116864041) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane
PubChem CID116864041
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane
SMILESCCc1cc(C2OC2(C)C)ccc1OC
InChIInChI=1S/C13H18O2/c1-5-9-8-10(6-7-11(9)14-4)12-13(2,3)15-12/h6-8,12H,5H2,1-4H3
InChIKeyUKUPUSQJMKDLDV-UHFFFAOYSA-N
XLogP3.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.11
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-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598
4-(3-ethyl-4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982907
2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
CID 116841836
3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane
CID 116864002
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341
2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide
CID 82481833
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82289626
methyl 3-(3-ethyl-4-methoxyphenyl)-3-oxopropanoate
CID 95452456
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane
CID 116864108

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane (CID 116864041) is 3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane is CCc1cc(C2OC2(C)C)ccc1OC.
What is the InChIKey of 3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane?
The InChIKey is UKUPUSQJMKDLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-9-8-10(6-7-11(9)14-4)12-13(2,3)15-12/h6-8,12H,5H2,1-4H3.
What are the key properties of 3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane?
3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane has a molecular weight of 206.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methoxyphenyl)-2,2-dimethyloxirane is sourced from PubChem (CID 116864041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).