(E)-2-phenylethenol

C8H8O — CID 5463229

IUPAC(E)-2-phenylethenol
SMILESO/C=C/c1ccccc1
InChIInChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-7,9H/b7-6+
InChIKeyXLLXMBCBJGATSP-VOTSOKGWSA-N
MW120.15 g/mol
LogP2.22
Rot. Bonds1

About (E)-2-phenylethenol

(E)-2-phenylethenol (PubChem CID 5463229) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is (E)-2-phenylethenol.

Molecular Properties

Compound Name(E)-2-phenylethenol
PubChem CID5463229
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name(E)-2-phenylethenol
SMILESO/C=C/c1ccccc1
InChIInChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-7,9H/b7-6+
InChIKeyXLLXMBCBJGATSP-VOTSOKGWSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-2-phenylethenol?
The IUPAC name of (E)-2-phenylethenol (CID 5463229) is (E)-2-phenylethenol.
What is the SMILES notation for (E)-2-phenylethenol?
The canonical SMILES for (E)-2-phenylethenol is O/C=C/c1ccccc1.
What is the InChIKey of (E)-2-phenylethenol?
The InChIKey is XLLXMBCBJGATSP-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-7,9H/b7-6+.
What are the key properties of (E)-2-phenylethenol?
(E)-2-phenylethenol has a molecular weight of 120.15 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenylethenol is sourced from PubChem (CID 5463229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).