2-methoxy-4-prop-2-enylphenol

C10H12O2 — CID 3314

💊View drug profile → eugenol
IUPAC2-methoxy-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(OC)c1
InChIInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
InChIKeyRRAFCDWBNXTKKO-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.13
Rot. Bonds3

About 2-methoxy-4-prop-2-enylphenol

2-methoxy-4-prop-2-enylphenol (PubChem CID 3314) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methoxy-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-methoxy-4-prop-2-enylphenol
PubChem CID3314
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methoxy-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(OC)c1
InChIInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
InChIKeyRRAFCDWBNXTKKO-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ferulic Acid
CID 445858
Guaiacol
CID 460
Methyleugenol
CID 7127
Isoeugenol
CID 853433
Curcumin
CID 969516
4-tert-Butylcatechol
CID 7381
Acetovanillone
CID 2214
Hydroxytyrosol
CID 82755
Homovanillic Acid
CID 1738
Tetrahydrocurcumin
CID 124072
(6)-Gingerol
CID 442793
4-Vinylguaiacol
CID 332

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-prop-2-enylphenol?
The IUPAC name of 2-methoxy-4-prop-2-enylphenol (CID 3314) is 2-methoxy-4-prop-2-enylphenol.
What is the SMILES notation for 2-methoxy-4-prop-2-enylphenol?
The canonical SMILES for 2-methoxy-4-prop-2-enylphenol is C=CCc1ccc(O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-prop-2-enylphenol?
The InChIKey is RRAFCDWBNXTKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3.
What are the key properties of 2-methoxy-4-prop-2-enylphenol?
2-methoxy-4-prop-2-enylphenol has a molecular weight of 164.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-prop-2-enylphenol is sourced from PubChem (CID 3314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).