2-ethoxy-1-prop-2-enyl-3-propoxybenzene

C14H20O2 — CID 24769967

IUPAC2-ethoxy-1-prop-2-enyl-3-propoxybenzene
SMILESC=CCc1cccc(OCCC)c1OCC
InChIInChI=1S/C14H20O2/c1-4-8-12-9-7-10-13(16-11-5-2)14(12)15-6-3/h4,7,9-10H,1,5-6,8,11H2,2-3H3
InChIKeyTVOMAKOGTBURJY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.60
Rot. Bonds7

About 2-ethoxy-1-prop-2-enyl-3-propoxybenzene

2-ethoxy-1-prop-2-enyl-3-propoxybenzene (PubChem CID 24769967) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-ethoxy-1-prop-2-enyl-3-propoxybenzene.

Molecular Properties

Compound Name2-ethoxy-1-prop-2-enyl-3-propoxybenzene
PubChem CID24769967
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-ethoxy-1-prop-2-enyl-3-propoxybenzene
SMILESC=CCc1cccc(OCCC)c1OCC
InChIInChI=1S/C14H20O2/c1-4-8-12-9-7-10-13(16-11-5-2)14(12)15-6-3/h4,7,9-10H,1,5-6,8,11H2,2-3H3
InChIKeyTVOMAKOGTBURJY-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-prop-2-enyl-3-propoxybenzene?
The IUPAC name of 2-ethoxy-1-prop-2-enyl-3-propoxybenzene (CID 24769967) is 2-ethoxy-1-prop-2-enyl-3-propoxybenzene.
What is the SMILES notation for 2-ethoxy-1-prop-2-enyl-3-propoxybenzene?
The canonical SMILES for 2-ethoxy-1-prop-2-enyl-3-propoxybenzene is C=CCc1cccc(OCCC)c1OCC.
What is the InChIKey of 2-ethoxy-1-prop-2-enyl-3-propoxybenzene?
The InChIKey is TVOMAKOGTBURJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-8-12-9-7-10-13(16-11-5-2)14(12)15-6-3/h4,7,9-10H,1,5-6,8,11H2,2-3H3.
What are the key properties of 2-ethoxy-1-prop-2-enyl-3-propoxybenzene?
2-ethoxy-1-prop-2-enyl-3-propoxybenzene has a molecular weight of 220.31 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-prop-2-enyl-3-propoxybenzene is sourced from PubChem (CID 24769967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).