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

C14H11FO2 — CID 44563732

IUPAC4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol
SMILESOc1ccc(/C=C/c2ccc(F)cc2)cc1O
InChIInChI=1S/C14H11FO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h1-9,16-17H/b2-1+
InChIKeyANQYQQWJSOCXJC-OWOJBTEDSA-N
MW230.24 g/mol
LogP3.41
Rot. Bonds2

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

4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol (PubChem CID 44563732) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol
PubChem CID44563732
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol
SMILESOc1ccc(/C=C/c2ccc(F)cc2)cc1O
InChIInChI=1S/C14H11FO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h1-9,16-17H/b2-1+
InChIKeyANQYQQWJSOCXJC-OWOJBTEDSA-N
XLogP3.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.41
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-(4-fluorophenyl)ethenyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol (CID 44563732) is 4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol is Oc1ccc(/C=C/c2ccc(F)cc2)cc1O.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol?
The InChIKey is ANQYQQWJSOCXJC-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H11FO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h1-9,16-17H/b2-1+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol?
4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol has a molecular weight of 230.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,2-diol is sourced from PubChem (CID 44563732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).