5-[(E)-2-phenylethenyl]benzene-1,3-diol

C14H12O2 — CID 5280457

IUPAC5-[(E)-2-phenylethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2ccccc2)c1
InChIInChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
InChIKeyYCVPRTHEGLPYPB-VOTSOKGWSA-N
MW212.25 g/mol
LogP3.27
Rot. Bonds2

About 5-[(E)-2-phenylethenyl]benzene-1,3-diol

5-[(E)-2-phenylethenyl]benzene-1,3-diol (PubChem CID 5280457) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]benzene-1,3-diol
PubChem CID5280457
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name5-[(E)-2-phenylethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2ccccc2)c1
InChIInChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
InChIKeyYCVPRTHEGLPYPB-VOTSOKGWSA-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': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-phenylethenyl]benzene-1,3-diol (CID 5280457) is 5-[(E)-2-phenylethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-phenylethenyl]benzene-1,3-diol is Oc1cc(O)cc(/C=C/c2ccccc2)c1.
What is the InChIKey of 5-[(E)-2-phenylethenyl]benzene-1,3-diol?
The InChIKey is YCVPRTHEGLPYPB-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+.
What are the key properties of 5-[(E)-2-phenylethenyl]benzene-1,3-diol?
5-[(E)-2-phenylethenyl]benzene-1,3-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 5-[(E)-2-phenylethenyl]benzene-1,3-diol is sourced from PubChem (CID 5280457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).