2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane

C16H24O2 — CID 83942245

IUPAC2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane
SMILESCCCOc1c(C)cc(C)cc1CCC1OC1C
InChIInChI=1S/C16H24O2/c1-5-8-17-16-12(3)9-11(2)10-14(16)6-7-15-13(4)18-15/h9-10,13,15H,5-8H2,1-4H3
InChIKeyOYOYVEAVJSOEBO-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.81
Rot. Bonds6

About 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane

2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane (PubChem CID 83942245) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane
PubChem CID83942245
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane
SMILESCCCOc1c(C)cc(C)cc1CCC1OC1C
InChIInChI=1S/C16H24O2/c1-5-8-17-16-12(3)9-11(2)10-14(16)6-7-15-13(4)18-15/h9-10,13,15H,5-8H2,1-4H3
InChIKeyOYOYVEAVJSOEBO-UHFFFAOYSA-N
XLogP3.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.81
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

2-(3,5-dimethyl-2-propoxyphenyl)ethanamine
CID 82053274
3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
CID 82053234
methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83942262
5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
CID 83942149
1-(3,5-dimethyl-2-propoxyphenyl)hexane-3,4-diol
CID 83942267
2-[2-(2,5-dimethylphenyl)ethyl]-3-methyloxirane
CID 83928166
2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane
CID 83940889
2-[2-[2-[2,4-dimethyl-6-[2-(oxiran-2-yl)ethyl]phenoxy]-3,5-dimethylphenyl]ethyl]oxirane
CID 90973642
5-(3,5-dimethyl-2-propoxyphenyl)-4-methylpentan-2-one
CID 83942194
2-[2-(3-chloro-2,5-dimethyl-6-propoxyphenyl)butyl]-3-methyloxirane
CID 83940779
1-(3-bromopropyl)-2-ethoxy-3,5-dimethylbenzene
CID 83942023
2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959162

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane?
The IUPAC name of 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane (CID 83942245) is 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane.
What is the SMILES notation for 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane?
The canonical SMILES for 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane is CCCOc1c(C)cc(C)cc1CCC1OC1C.
What is the InChIKey of 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane?
The InChIKey is OYOYVEAVJSOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-8-17-16-12(3)9-11(2)10-14(16)6-7-15-13(4)18-15/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane?
2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane has a molecular weight of 248.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane is sourced from PubChem (CID 83942245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).