2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane

C16H24O3 — CID 83942873

IUPAC2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane
SMILESCCOc1ccc(OCC)c(CC(C)C2OC2C)c1
InChIInChI=1S/C16H24O3/c1-5-17-14-7-8-15(18-6-2)13(10-14)9-11(3)16-12(4)19-16/h7-8,10-12,16H,5-6,9H2,1-4H3
InChIKeyUDXILZKRHXRFGR-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.45
Rot. Bonds7

About 2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane

2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane (PubChem CID 83942873) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane.

Molecular Properties

Compound Name2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane
PubChem CID83942873
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane
SMILESCCOc1ccc(OCC)c(CC(C)C2OC2C)c1
InChIInChI=1S/C16H24O3/c1-5-17-14-7-8-15(18-6-2)13(10-14)9-11(3)16-12(4)19-16/h7-8,10-12,16H,5-6,9H2,1-4H3
InChIKeyUDXILZKRHXRFGR-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-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83933319
2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane
CID 83937057
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
2-[1-(4-hexoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83932750
2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83932252
2-[1-(4,5-diethoxy-2-fluorophenyl)propan-2-yl]-3-ethyloxirane
CID 83923159
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
2-amino-4-[(2,5-diethoxyphenyl)methyl]-2-methylhexanoic acid
CID 150161464
2-[1-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83938406
2-[2-(4-ethoxy-2-methylphenyl)butyl]-3-methyloxirane
CID 83936677

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane?
The IUPAC name of 2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane (CID 83942873) is 2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane.
What is the SMILES notation for 2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane?
The canonical SMILES for 2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane is CCOc1ccc(OCC)c(CC(C)C2OC2C)c1.
What is the InChIKey of 2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane?
The InChIKey is UDXILZKRHXRFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-17-14-7-8-15(18-6-2)13(10-14)9-11(3)16-12(4)19-16/h7-8,10-12,16H,5-6,9H2,1-4H3.
What are the key properties of 2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane?
2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane 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-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane is sourced from PubChem (CID 83942873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).