2,4-dimethoxy-1-prop-2-enylbenzene

C11H14O2 — CID 3083821

IUPAC2,4-dimethoxy-1-prop-2-enylbenzene
SMILESC=CCc1ccc(OC)cc1OC
InChIInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)8-11(9)13-3/h4,6-8H,1,5H2,2-3H3
InChIKeyHZLYHZSHPUFYAR-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.43
Rot. Bonds4

About 2,4-dimethoxy-1-prop-2-enylbenzene

2,4-dimethoxy-1-prop-2-enylbenzene (PubChem CID 3083821) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,4-dimethoxy-1-prop-2-enylbenzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-prop-2-enylbenzene
PubChem CID3083821
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2,4-dimethoxy-1-prop-2-enylbenzene
SMILESC=CCc1ccc(OC)cc1OC
InChIInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)8-11(9)13-3/h4,6-8H,1,5H2,2-3H3
InChIKeyHZLYHZSHPUFYAR-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.43
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 2,4-dimethoxy-1-prop-2-enylbenzene?
The IUPAC name of 2,4-dimethoxy-1-prop-2-enylbenzene (CID 3083821) is 2,4-dimethoxy-1-prop-2-enylbenzene.
What is the SMILES notation for 2,4-dimethoxy-1-prop-2-enylbenzene?
The canonical SMILES for 2,4-dimethoxy-1-prop-2-enylbenzene is C=CCc1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-1-prop-2-enylbenzene?
The InChIKey is HZLYHZSHPUFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)8-11(9)13-3/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 2,4-dimethoxy-1-prop-2-enylbenzene?
2,4-dimethoxy-1-prop-2-enylbenzene has a molecular weight of 178.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-prop-2-enylbenzene is sourced from PubChem (CID 3083821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).