2-(2-phenylethenyl)benzene-1,4-diol

C14H12O2 — CID 54196246

IUPAC2-(2-phenylethenyl)benzene-1,4-diol
SMILESOc1ccc(O)c(C=Cc2ccccc2)c1
InChIInChI=1S/C14H12O2/c15-13-8-9-14(16)12(10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H
InChIKeyPLZWSHKNJDOJJR-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.27
Rot. Bonds2

About 2-(2-phenylethenyl)benzene-1,4-diol

2-(2-phenylethenyl)benzene-1,4-diol (PubChem CID 54196246) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-phenylethenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(2-phenylethenyl)benzene-1,4-diol
PubChem CID54196246
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2-(2-phenylethenyl)benzene-1,4-diol
SMILESOc1ccc(O)c(C=Cc2ccccc2)c1
InChIInChI=1S/C14H12O2/c15-13-8-9-14(16)12(10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H
InChIKeyPLZWSHKNJDOJJR-UHFFFAOYSA-N
XLogP3.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)benzene-1,4-diol?
The IUPAC name of 2-(2-phenylethenyl)benzene-1,4-diol (CID 54196246) is 2-(2-phenylethenyl)benzene-1,4-diol.
What is the SMILES notation for 2-(2-phenylethenyl)benzene-1,4-diol?
The canonical SMILES for 2-(2-phenylethenyl)benzene-1,4-diol is Oc1ccc(O)c(C=Cc2ccccc2)c1.
What is the InChIKey of 2-(2-phenylethenyl)benzene-1,4-diol?
The InChIKey is PLZWSHKNJDOJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-13-8-9-14(16)12(10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H.
What are the key properties of 2-(2-phenylethenyl)benzene-1,4-diol?
2-(2-phenylethenyl)benzene-1,4-diol has a molecular weight of 212.25 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)benzene-1,4-diol is sourced from PubChem (CID 54196246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).