1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene

C13H16O2 — CID 14339296

IUPAC1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene
SMILESC=CCOc1c(CC=C)cccc1OC
InChIInChI=1S/C13H16O2/c1-4-7-11-8-6-9-12(14-3)13(11)15-10-5-2/h4-6,8-9H,1-2,7,10H2,3H3
InChIKeyBAFJVBDHAZSCTI-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.99
Rot. Bonds6

About 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene

1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene (PubChem CID 14339296) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene
PubChem CID14339296
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene
SMILESC=CCOc1c(CC=C)cccc1OC
InChIInChI=1S/C13H16O2/c1-4-7-11-8-6-9-12(14-3)13(11)15-10-5-2/h4-6,8-9H,1-2,7,10H2,3H3
InChIKeyBAFJVBDHAZSCTI-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene?
The IUPAC name of 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene (CID 14339296) is 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene.
What is the SMILES notation for 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene?
The canonical SMILES for 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene is C=CCOc1c(CC=C)cccc1OC.
What is the InChIKey of 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene?
The InChIKey is BAFJVBDHAZSCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-7-11-8-6-9-12(14-3)13(11)15-10-5-2/h4-6,8-9H,1-2,7,10H2,3H3.
What are the key properties of 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene?
1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene has a molecular weight of 204.27 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-prop-2-enoxy-3-prop-2-enylbenzene is sourced from PubChem (CID 14339296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).