4-ethoxy-2-prop-2-enylphenol

C11H14O2 — CID 2104078

IUPAC4-ethoxy-2-prop-2-enylphenol
SMILESC=CCc1cc(OCC)ccc1O
InChIInChI=1S/C11H14O2/c1-3-5-9-8-10(13-4-2)6-7-11(9)12/h3,6-8,12H,1,4-5H2,2H3
InChIKeyMSNKNSRKIJBFMX-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.52
Rot. Bonds4

About 4-ethoxy-2-prop-2-enylphenol

4-ethoxy-2-prop-2-enylphenol (PubChem CID 2104078) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-ethoxy-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-ethoxy-2-prop-2-enylphenol
PubChem CID2104078
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-ethoxy-2-prop-2-enylphenol
SMILESC=CCc1cc(OCC)ccc1O
InChIInChI=1S/C11H14O2/c1-3-5-9-8-10(13-4-2)6-7-11(9)12/h3,6-8,12H,1,4-5H2,2H3
InChIKeyMSNKNSRKIJBFMX-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
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 4-ethoxy-2-prop-2-enylphenol?
The IUPAC name of 4-ethoxy-2-prop-2-enylphenol (CID 2104078) is 4-ethoxy-2-prop-2-enylphenol.
What is the SMILES notation for 4-ethoxy-2-prop-2-enylphenol?
The canonical SMILES for 4-ethoxy-2-prop-2-enylphenol is C=CCc1cc(OCC)ccc1O.
What is the InChIKey of 4-ethoxy-2-prop-2-enylphenol?
The InChIKey is MSNKNSRKIJBFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-5-9-8-10(13-4-2)6-7-11(9)12/h3,6-8,12H,1,4-5H2,2H3.
What are the key properties of 4-ethoxy-2-prop-2-enylphenol?
4-ethoxy-2-prop-2-enylphenol has a molecular weight of 178.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-prop-2-enylphenol is sourced from PubChem (CID 2104078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).