1-ethoxy-4-methoxy-2-prop-2-enylbenzene

C12H16O2 — CID 24770153

IUPAC1-ethoxy-4-methoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OCC
InChIInChI=1S/C12H16O2/c1-4-6-10-9-11(13-3)7-8-12(10)14-5-2/h4,7-9H,1,5-6H2,2-3H3
InChIKeyOCNJJFYYINZWNX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.82
Rot. Bonds5

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

1-ethoxy-4-methoxy-2-prop-2-enylbenzene (PubChem CID 24770153) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-ethoxy-4-methoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-ethoxy-4-methoxy-2-prop-2-enylbenzene
PubChem CID24770153
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-ethoxy-4-methoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OCC
InChIInChI=1S/C12H16O2/c1-4-6-10-9-11(13-3)7-8-12(10)14-5-2/h4,7-9H,1,5-6H2,2-3H3
InChIKeyOCNJJFYYINZWNX-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.82
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 1-ethoxy-4-methoxy-2-prop-2-enylbenzene?
The IUPAC name of 1-ethoxy-4-methoxy-2-prop-2-enylbenzene (CID 24770153) is 1-ethoxy-4-methoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 1-ethoxy-4-methoxy-2-prop-2-enylbenzene?
The canonical SMILES for 1-ethoxy-4-methoxy-2-prop-2-enylbenzene is C=CCc1cc(OC)ccc1OCC.
What is the InChIKey of 1-ethoxy-4-methoxy-2-prop-2-enylbenzene?
The InChIKey is OCNJJFYYINZWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-6-10-9-11(13-3)7-8-12(10)14-5-2/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 1-ethoxy-4-methoxy-2-prop-2-enylbenzene?
1-ethoxy-4-methoxy-2-prop-2-enylbenzene has a molecular weight of 192.26 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 24770153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).