4,5-dimethoxy-2-prop-2-enylphenol

C11H14O3 — CID 10997884

IUPAC4,5-dimethoxy-2-prop-2-enylphenol
SMILESC=CCc1cc(OC)c(OC)cc1O
InChIInChI=1S/C11H14O3/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7,12H,1,5H2,2-3H3
InChIKeyIHAVVJBEVFMSES-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.14
Rot. Bonds4

About 4,5-dimethoxy-2-prop-2-enylphenol

4,5-dimethoxy-2-prop-2-enylphenol (PubChem CID 10997884) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4,5-dimethoxy-2-prop-2-enylphenol.

Molecular Properties

Compound Name4,5-dimethoxy-2-prop-2-enylphenol
PubChem CID10997884
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4,5-dimethoxy-2-prop-2-enylphenol
SMILESC=CCc1cc(OC)c(OC)cc1O
InChIInChI=1S/C11H14O3/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7,12H,1,5H2,2-3H3
InChIKeyIHAVVJBEVFMSES-UHFFFAOYSA-N
XLogP2.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,5-dimethoxy-2-prop-2-enylphenol?
The IUPAC name of 4,5-dimethoxy-2-prop-2-enylphenol (CID 10997884) is 4,5-dimethoxy-2-prop-2-enylphenol.
What is the SMILES notation for 4,5-dimethoxy-2-prop-2-enylphenol?
The canonical SMILES for 4,5-dimethoxy-2-prop-2-enylphenol is C=CCc1cc(OC)c(OC)cc1O.
What is the InChIKey of 4,5-dimethoxy-2-prop-2-enylphenol?
The InChIKey is IHAVVJBEVFMSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7,12H,1,5H2,2-3H3.
What are the key properties of 4,5-dimethoxy-2-prop-2-enylphenol?
4,5-dimethoxy-2-prop-2-enylphenol has a molecular weight of 194.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-prop-2-enylphenol is sourced from PubChem (CID 10997884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).