5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol

C14H11BrO2 — CID 18475115

IUPAC5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+
InChIKeyNCJVLKFAQIWASE-OWOJBTEDSA-N
MW291.14 g/mol
LogP4.03
Rot. Bonds2

About 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol

5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol (PubChem CID 18475115) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol
PubChem CID18475115
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+
InChIKeyNCJVLKFAQIWASE-OWOJBTEDSA-N
XLogP4.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.03
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-(4-bromophenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol (CID 18475115) is 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol is Oc1cc(O)cc(/C=C/c2ccc(Br)cc2)c1.
What is the InChIKey of 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol?
The InChIKey is NCJVLKFAQIWASE-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+.
What are the key properties of 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol?
5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol has a molecular weight of 291.14 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 18475115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).