2-(3-ethoxyprop-2-enyl)phenol

C11H14O2 — CID 66692750

IUPAC2-(3-ethoxyprop-2-enyl)phenol
SMILESCCOC=CCc1ccccc1O
InChIInChI=1S/C11H14O2/c1-2-13-9-5-7-10-6-3-4-8-11(10)12/h3-6,8-9,12H,2,7H2,1H3
InChIKeyTXRQDHQQNLWGQY-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.48
Rot. Bonds4

About 2-(3-ethoxyprop-2-enyl)phenol

2-(3-ethoxyprop-2-enyl)phenol (PubChem CID 66692750) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(3-ethoxyprop-2-enyl)phenol.

Molecular Properties

Compound Name2-(3-ethoxyprop-2-enyl)phenol
PubChem CID66692750
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(3-ethoxyprop-2-enyl)phenol
SMILESCCOC=CCc1ccccc1O
InChIInChI=1S/C11H14O2/c1-2-13-9-5-7-10-6-3-4-8-11(10)12/h3-6,8-9,12H,2,7H2,1H3
InChIKeyTXRQDHQQNLWGQY-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyprop-2-enyl)phenol?
The IUPAC name of 2-(3-ethoxyprop-2-enyl)phenol (CID 66692750) is 2-(3-ethoxyprop-2-enyl)phenol.
What is the SMILES notation for 2-(3-ethoxyprop-2-enyl)phenol?
The canonical SMILES for 2-(3-ethoxyprop-2-enyl)phenol is CCOC=CCc1ccccc1O.
What is the InChIKey of 2-(3-ethoxyprop-2-enyl)phenol?
The InChIKey is TXRQDHQQNLWGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-13-9-5-7-10-6-3-4-8-11(10)12/h3-6,8-9,12H,2,7H2,1H3.
What are the key properties of 2-(3-ethoxyprop-2-enyl)phenol?
2-(3-ethoxyprop-2-enyl)phenol has a molecular weight of 178.23 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyprop-2-enyl)phenol is sourced from PubChem (CID 66692750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).