2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane

C15H22O3 — CID 83938400

IUPAC2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane
SMILESCCOc1ccc(CCC2OC2CC)cc1OC
InChIInChI=1S/C15H22O3/c1-4-12-14(18-12)9-7-11-6-8-13(17-5-2)15(10-11)16-3/h6,8,10,12,14H,4-5,7,9H2,1-3H3
InChIKeyWBCNTUBNSVVVPG-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.20
Rot. Bonds7

About 2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane

2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane (PubChem CID 83938400) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane.

Molecular Properties

Compound Name2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane
PubChem CID83938400
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane
SMILESCCOc1ccc(CCC2OC2CC)cc1OC
InChIInChI=1S/C15H22O3/c1-4-12-14(18-12)9-7-11-6-8-13(17-5-2)15(10-11)16-3/h6,8,10,12,14H,4-5,7,9H2,1-3H3
InChIKeyWBCNTUBNSVVVPG-UHFFFAOYSA-N
XLogP3.20
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.20
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-(4-ethoxy-3-methoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83938406
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
4-(2-cyclohexylethyl)-1,2-diethoxybenzene
CID 91085338
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
2-methoxy-4-[2-(3-nonyloxiran-2-yl)ethyl]phenol
CID 137432150
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
1,2-diethoxy-4-propylbenzene
CID 3995471
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane?
The IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane (CID 83938400) is 2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane.
What is the SMILES notation for 2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane?
The canonical SMILES for 2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane is CCOc1ccc(CCC2OC2CC)cc1OC.
What is the InChIKey of 2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane?
The InChIKey is WBCNTUBNSVVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-12-14(18-12)9-7-11-6-8-13(17-5-2)15(10-11)16-3/h6,8,10,12,14H,4-5,7,9H2,1-3H3.
What are the key properties of 2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane?
2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane has a molecular weight of 250.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane is sourced from PubChem (CID 83938400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).