2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane

C14H20O2 — CID 83929072

IUPAC2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane
SMILESCCC1OC1CC(C)c1ccccc1OC
InChIInChI=1S/C14H20O2/c1-4-12-14(16-12)9-10(2)11-7-5-6-8-13(11)15-3/h5-8,10,12,14H,4,9H2,1-3H3
InChIKeyWYQGAHZPRAOIPO-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.37
Rot. Bonds5

About 2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane

2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane (PubChem CID 83929072) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane
PubChem CID83929072
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane
SMILESCCC1OC1CC(C)c1ccccc1OC
InChIInChI=1S/C14H20O2/c1-4-12-14(16-12)9-10(2)11-7-5-6-8-13(11)15-3/h5-8,10,12,14H,4,9H2,1-3H3
InChIKeyWYQGAHZPRAOIPO-UHFFFAOYSA-N
XLogP3.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.37
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-[(2S,3R)-3-deuteriobutan-2-yl]-2-methoxybenzene
CID 102007298
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
1-methoxy-2-pent-4-yn-2-ylbenzene
CID 83929027
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
2-[2-(5-chloro-2,4-dimethoxyphenyl)butyl]-3-ethyloxirane
CID 83943363
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
1,2-dimethoxybenzene;propanal
CID 174258099

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane?
The IUPAC name of 2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane (CID 83929072) is 2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane.
What is the SMILES notation for 2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane?
The canonical SMILES for 2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane is CCC1OC1CC(C)c1ccccc1OC.
What is the InChIKey of 2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane?
The InChIKey is WYQGAHZPRAOIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-12-14(16-12)9-10(2)11-7-5-6-8-13(11)15-3/h5-8,10,12,14H,4,9H2,1-3H3.
What are the key properties of 2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane?
2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane has a molecular weight of 220.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane is sourced from PubChem (CID 83929072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).