2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane

C15H22O2 — CID 83932492

IUPAC2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane
SMILESCC(C)COc1ccccc1CCC1OC1C
InChIInChI=1S/C15H22O2/c1-11(2)10-16-15-7-5-4-6-13(15)8-9-14-12(3)17-14/h4-7,11-12,14H,8-10H2,1-3H3
InChIKeyLKPOIPLOOMPQBD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.44
Rot. Bonds6

About 2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane

2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane (PubChem CID 83932492) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane
PubChem CID83932492
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane
SMILESCC(C)COc1ccccc1CCC1OC1C
InChIInChI=1S/C15H22O2/c1-11(2)10-16-15-7-5-4-6-13(15)8-9-14-12(3)17-14/h4-7,11-12,14H,8-10H2,1-3H3
InChIKeyLKPOIPLOOMPQBD-UHFFFAOYSA-N
XLogP3.44
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.44
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

1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
CID 141096920
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
CID 71111467
CID 71111467
N-[[2-(2-methylpropoxy)phenyl]methyl]pyridin-2-amine
CID 133271435
2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110917976
2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol
CID 107713014
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
1-[[2-(2-methylpropoxy)phenyl]methyl]-2-phenylhydrazine
CID 169385411

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane?
The IUPAC name of 2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane (CID 83932492) is 2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane.
What is the SMILES notation for 2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane?
The canonical SMILES for 2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane is CC(C)COc1ccccc1CCC1OC1C.
What is the InChIKey of 2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane?
The InChIKey is LKPOIPLOOMPQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(2)10-16-15-7-5-4-6-13(15)8-9-14-12(3)17-14/h4-7,11-12,14H,8-10H2,1-3H3.
What are the key properties of 2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane?
2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane has a molecular weight of 234.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane is sourced from PubChem (CID 83932492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).