2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane

C15H22O3 — CID 83928875

IUPAC2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane
SMILESCCC1OC1CC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22O3/c1-5-12-15(18-12)8-10(2)11-6-7-13(16-3)14(9-11)17-4/h6-7,9-10,12,15H,5,8H2,1-4H3
InChIKeyFFAXXMFSKXQHGJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.37
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane

2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane (PubChem CID 83928875) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane
PubChem CID83928875
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane
SMILESCCC1OC1CC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22O3/c1-5-12-15(18-12)8-10(2)11-6-7-13(16-3)14(9-11)17-4/h6-7,9-10,12,15H,5,8H2,1-4H3
InChIKeyFFAXXMFSKXQHGJ-UHFFFAOYSA-N
XLogP3.37
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene
CID 83928870
2-ethyl-3-[2-(2-methoxyphenyl)propyl]oxirane
CID 83929072
2-[2-(3,4-dichlorophenyl)propyl]-3-ethyloxirane
CID 83931297
2-[2-(3-bromo-4-methoxyphenyl)propyl]-3-methyloxirane
CID 83926146
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
2-[2-(4-tert-butylphenyl)propyl]-3-ethyloxirane
CID 83928775
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81020042
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane (CID 83928875) is 2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane is CCC1OC1CC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane?
The InChIKey is FFAXXMFSKXQHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-12-15(18-12)8-10(2)11-6-7-13(16-3)14(9-11)17-4/h6-7,9-10,12,15H,5,8H2,1-4H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane?
2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane has a molecular weight of 250.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)propyl]-3-ethyloxirane is sourced from PubChem (CID 83928875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).