Methyleugenol

C11H14O2 — CID 7127

IUPAC1,2-dimethoxy-4-prop-2-enylbenzene
SMILESCOC1=C(C=C(C=C1)CC=C)OC
InChIInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
InChIKeyZYEMGPIYFIJGTP-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.50
Rot. Bonds4

About Methyleugenol

Methyleugenol (PubChem CID 7127) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,2-dimethoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound NameMethyleugenol
PubChem CID7127
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1,2-dimethoxy-4-prop-2-enylbenzene
SMILESCOC1=C(C=C(C=C1)CC=C)OC
InChIInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
InChIKeyZYEMGPIYFIJGTP-UHFFFAOYSA-N
XLogP2.50
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Eugenol
CID 3314
Anethole
CID 637563
Safrole
CID 5144
Estragole
CID 8815
Isoeugenol
CID 853433
Isosafrole
CID 637796
Asarone
CID 636822
4-Vinylguaiacol
CID 332
2-Methoxy-4-Methylphenol
CID 7144
Zingerone
CID 31211
Methoxyhydroxyphenylglycol
CID 10805
Veratrole
CID 7043

Frequently Asked Questions

What is the IUPAC name of Methyleugenol?
The IUPAC name of Methyleugenol (CID 7127) is 1,2-dimethoxy-4-prop-2-enylbenzene.
What is the SMILES notation for Methyleugenol?
The canonical SMILES for Methyleugenol is COC1=C(C=C(C=C1)CC=C)OC.
What is the InChIKey of Methyleugenol?
The InChIKey is ZYEMGPIYFIJGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3.
What are the key properties of Methyleugenol?
Methyleugenol has a molecular weight of 178.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Methyleugenol is sourced from PubChem (CID 7127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).