2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane

C14H20O2 — CID 83940139

IUPAC2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane
SMILESCOc1cc(C)c(CCC2OC2C)c(C)c1
InChIInChI=1S/C14H20O2/c1-9-7-12(15-4)8-10(2)13(9)5-6-14-11(3)16-14/h7-8,11,14H,5-6H2,1-4H3
InChIKeyLCMVYLXQUDBCKP-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.03
Rot. Bonds4

About 2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane

2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane (PubChem CID 83940139) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane
PubChem CID83940139
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane
SMILESCOc1cc(C)c(CCC2OC2C)c(C)c1
InChIInChI=1S/C14H20O2/c1-9-7-12(15-4)8-10(2)13(9)5-6-14-11(3)16-14/h7-8,11,14H,5-6H2,1-4H3
InChIKeyLCMVYLXQUDBCKP-UHFFFAOYSA-N
XLogP3.03
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.03
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-(4-methoxy-2,6-dimethylphenyl)propyl]-3-methyloxirane
CID 83940144
2-but-3-ynyl-5-methoxy-1,3-dimethylbenzene
CID 83940116
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
4-(4-methoxy-2,6-dimethylphenyl)butanenitrile
CID 83940113
2-[2-(2,5-dimethylphenyl)ethyl]-3-methyloxirane
CID 83928166
4-(4-methoxy-2,6-dimethylphenyl)butanethioamide
CID 83940100
1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
2-[2-(4-ethoxyphenyl)ethyl]-3-methyloxirane
CID 83932245
4-amino-1-(4-methoxy-2,6-dimethylphenyl)heptan-3-ol
CID 83940153

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane?
The IUPAC name of 2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane (CID 83940139) is 2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane.
What is the SMILES notation for 2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane?
The canonical SMILES for 2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane is COc1cc(C)c(CCC2OC2C)c(C)c1.
What is the InChIKey of 2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane?
The InChIKey is LCMVYLXQUDBCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-7-12(15-4)8-10(2)13(9)5-6-14-11(3)16-14/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane?
2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane has a molecular weight of 220.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2,6-dimethylphenyl)ethyl]-3-methyloxirane is sourced from PubChem (CID 83940139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).