3-[(E)-2-phenylethenyl]phenol

C14H12O — CID 5375465

IUPAC3-[(E)-2-phenylethenyl]phenol
SMILESOc1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C14H12O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11,15H/b10-9+
InChIKeyXBHJTSIYYWRJFQ-MDZDMXLPSA-N
MW196.25 g/mol
LogP3.56
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]phenol

3-[(E)-2-phenylethenyl]phenol (PubChem CID 5375465) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]phenol
PubChem CID5375465
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name3-[(E)-2-phenylethenyl]phenol
SMILESOc1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C14H12O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11,15H/b10-9+
InChIKeyXBHJTSIYYWRJFQ-MDZDMXLPSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]phenol?
The IUPAC name of 3-[(E)-2-phenylethenyl]phenol (CID 5375465) is 3-[(E)-2-phenylethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]phenol?
The canonical SMILES for 3-[(E)-2-phenylethenyl]phenol is Oc1cccc(/C=C/c2ccccc2)c1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]phenol?
The InChIKey is XBHJTSIYYWRJFQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H12O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11,15H/b10-9+.
What are the key properties of 3-[(E)-2-phenylethenyl]phenol?
3-[(E)-2-phenylethenyl]phenol has a molecular weight of 196.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]phenol is sourced from PubChem (CID 5375465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).