2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

C20H22O2 — CID 54592210

IUPAC2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2ccc(OCC)c(CC=C)c2)c1
InChIInChI=1S/C20H22O2/c1-4-7-15-9-11-19(21)18(13-15)16-10-12-20(22-6-3)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3
InChIKeyIGROZJFLUONIRU-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.91
Rot. Bonds7

About 2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol (PubChem CID 54592210) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
PubChem CID54592210
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2ccc(OCC)c(CC=C)c2)c1
InChIInChI=1S/C20H22O2/c1-4-7-15-9-11-19(21)18(13-15)16-10-12-20(22-6-3)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3
InChIKeyIGROZJFLUONIRU-UHFFFAOYSA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.91
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 2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The IUPAC name of 2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol (CID 54592210) is 2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol.
What is the SMILES notation for 2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The canonical SMILES for 2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2ccc(OCC)c(CC=C)c2)c1.
What is the InChIKey of 2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
The InChIKey is IGROZJFLUONIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-4-7-15-9-11-19(21)18(13-15)16-10-12-20(22-6-3)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3.
What are the key properties of 2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol?
2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol has a molecular weight of 294.39 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol is sourced from PubChem (CID 54592210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).