4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene

C13H16O2 — CID 24770797

IUPAC4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
SMILESC=CCOc1ccc(OC)cc1CC=C
InChIInChI=1S/C13H16O2/c1-4-6-11-10-12(14-3)7-8-13(11)15-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3
InChIKeyGYIGLGXOCHXJRL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.99
Rot. Bonds6

About 4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene

4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene (PubChem CID 24770797) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
PubChem CID24770797
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
SMILESC=CCOc1ccc(OC)cc1CC=C
InChIInChI=1S/C13H16O2/c1-4-6-11-10-12(14-3)7-8-13(11)15-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3
InChIKeyGYIGLGXOCHXJRL-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
The IUPAC name of 4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene (CID 24770797) is 4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
The canonical SMILES for 4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene is C=CCOc1ccc(OC)cc1CC=C.
What is the InChIKey of 4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
The InChIKey is GYIGLGXOCHXJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-6-11-10-12(14-3)7-8-13(11)15-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3.
What are the key properties of 4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
4-methoxy-1-prop-2-enoxy-2-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 4-methoxy-1-prop-2-enoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 24770797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).