2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane

C16H24O3 — CID 83938406

IUPAC2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane
SMILESCCOc1ccc(CC(C)C2OC2CC)cc1OC
InChIInChI=1S/C16H24O3/c1-5-13-16(19-13)11(3)9-12-7-8-14(18-6-2)15(10-12)17-4/h7-8,10-11,13,16H,5-6,9H2,1-4H3
InChIKeyARYMSYIEZQERRA-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.45
Rot. Bonds7

About 2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane

2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane (PubChem CID 83938406) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane.

Molecular Properties

Compound Name2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane
PubChem CID83938406
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane
SMILESCCOc1ccc(CC(C)C2OC2CC)cc1OC
InChIInChI=1S/C16H24O3/c1-5-13-16(19-13)11(3)9-12-7-8-14(18-6-2)15(10-12)17-4/h7-8,10-11,13,16H,5-6,9H2,1-4H3
InChIKeyARYMSYIEZQERRA-UHFFFAOYSA-N
XLogP3.45
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.45
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

2-ethyl-3-[1-(3-methoxy-4-propoxyphenyl)propan-2-yl]oxirane
CID 83938531
2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane
CID 83938400
2-[1-(3-tert-butyl-4-propoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83934518
2-[1-(4,5-diethoxy-2-fluorophenyl)propan-2-yl]-3-ethyloxirane
CID 83923159
2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane
CID 83937936
2-[1-(3-bromo-4-methoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83926147
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-[(4-ethoxy-3-methoxyphenyl)methyl]-3-hydroxypropanenitrile
CID 82350295
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
4-(2-chlorobutyl)-2-ethoxy-1-methoxybenzene
CID 82161430
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane?
The IUPAC name of 2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane (CID 83938406) is 2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane.
What is the SMILES notation for 2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane?
The canonical SMILES for 2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane is CCOc1ccc(CC(C)C2OC2CC)cc1OC.
What is the InChIKey of 2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane?
The InChIKey is ARYMSYIEZQERRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-13-16(19-13)11(3)9-12-7-8-14(18-6-2)15(10-12)17-4/h7-8,10-11,13,16H,5-6,9H2,1-4H3.
What are the key properties of 2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane?
2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane has a molecular weight of 264.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane is sourced from PubChem (CID 83938406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).