4-ethyl-3-prop-2-enoxyphenol

C11H14O2 — CID 18512145

IUPAC4-ethyl-3-prop-2-enoxyphenol
SMILESC=CCOc1cc(O)ccc1CC
InChIInChI=1S/C11H14O2/c1-3-7-13-11-8-10(12)6-5-9(11)4-2/h3,5-6,8,12H,1,4,7H2,2H3
InChIKeyXGTHYGGPKHJNOT-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.52
Rot. Bonds4

About 4-ethyl-3-prop-2-enoxyphenol

4-ethyl-3-prop-2-enoxyphenol (PubChem CID 18512145) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-ethyl-3-prop-2-enoxyphenol.

Molecular Properties

Compound Name4-ethyl-3-prop-2-enoxyphenol
PubChem CID18512145
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-ethyl-3-prop-2-enoxyphenol
SMILESC=CCOc1cc(O)ccc1CC
InChIInChI=1S/C11H14O2/c1-3-7-13-11-8-10(12)6-5-9(11)4-2/h3,5-6,8,12H,1,4,7H2,2H3
InChIKeyXGTHYGGPKHJNOT-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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Related Compounds

3-prop-2-enoxy-4-prop-2-enylphenol
CID 14888956
1,5-diethyl-2,4-bis(prop-2-enoxy)benzene
CID 158976326
4-fluoro-3-prop-2-enoxyphenol
CID 11159544
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142
3-propoxy-4-propylphenol
CID 22123839
4-ethylbenzene-1,3-diol
CID 17927
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
(4-fluoro-2-prop-2-enoxyphenyl)methanol
CID 67448374
4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 24770216
[2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol
CID 101326378
3-(1-aminoprop-2-enyl)-4-ethylphenol
CID 55282730
4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 145079777

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-prop-2-enoxyphenol?
The IUPAC name of 4-ethyl-3-prop-2-enoxyphenol (CID 18512145) is 4-ethyl-3-prop-2-enoxyphenol.
What is the SMILES notation for 4-ethyl-3-prop-2-enoxyphenol?
The canonical SMILES for 4-ethyl-3-prop-2-enoxyphenol is C=CCOc1cc(O)ccc1CC.
What is the InChIKey of 4-ethyl-3-prop-2-enoxyphenol?
The InChIKey is XGTHYGGPKHJNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-7-13-11-8-10(12)6-5-9(11)4-2/h3,5-6,8,12H,1,4,7H2,2H3.
What are the key properties of 4-ethyl-3-prop-2-enoxyphenol?
4-ethyl-3-prop-2-enoxyphenol 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-ethyl-3-prop-2-enoxyphenol is sourced from PubChem (CID 18512145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).