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

C14H12O2 — CID 10176710

IUPAC4-[(E)-2-phenylethenyl]benzene-1,2-diol
SMILESOc1ccc(/C=C/c2ccccc2)cc1O
InChIInChI=1S/C14H12O2/c15-13-9-8-12(10-14(13)16)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
InChIKeyMLQDDSFDIGRHMD-VOTSOKGWSA-N
MW212.25 g/mol
LogP3.27
Rot. Bonds2

About 4-[(E)-2-phenylethenyl]benzene-1,2-diol

4-[(E)-2-phenylethenyl]benzene-1,2-diol (PubChem CID 10176710) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]benzene-1,2-diol
PubChem CID10176710
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name4-[(E)-2-phenylethenyl]benzene-1,2-diol
SMILESOc1ccc(/C=C/c2ccccc2)cc1O
InChIInChI=1S/C14H12O2/c15-13-9-8-12(10-14(13)16)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
InChIKeyMLQDDSFDIGRHMD-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-2-phenylethenyl]benzene-1,2-diol (CID 10176710) is 4-[(E)-2-phenylethenyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-2-phenylethenyl]benzene-1,2-diol is Oc1ccc(/C=C/c2ccccc2)cc1O.
What is the InChIKey of 4-[(E)-2-phenylethenyl]benzene-1,2-diol?
The InChIKey is MLQDDSFDIGRHMD-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H12O2/c15-13-9-8-12(10-14(13)16)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+.
What are the key properties of 4-[(E)-2-phenylethenyl]benzene-1,2-diol?
4-[(E)-2-phenylethenyl]benzene-1,2-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 4-[(E)-2-phenylethenyl]benzene-1,2-diol is sourced from PubChem (CID 10176710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).