2,6-dibromo-4-[(E)-2-phenylethenyl]phenol

C14H10Br2O — CID 25129137

IUPAC2,6-dibromo-4-[(E)-2-phenylethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2ccccc2)cc1Br
InChIInChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+
InChIKeyWMVYUPRIADVLTH-VOTSOKGWSA-N
MW354.04 g/mol
LogP5.09
Rot. Bonds2

About 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol

2,6-dibromo-4-[(E)-2-phenylethenyl]phenol (PubChem CID 25129137) has the molecular formula C14H10Br2O and a molecular weight of 354.04 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-2-phenylethenyl]phenol
PubChem CID25129137
Molecular FormulaC14H10Br2O
Molecular Weight354.04 g/mol
Exact Mass351.91
IUPAC Name2,6-dibromo-4-[(E)-2-phenylethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2ccccc2)cc1Br
InChIInChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+
InChIKeyWMVYUPRIADVLTH-VOTSOKGWSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.04
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol (CID 25129137) is 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol is Oc1c(Br)cc(/C=C/c2ccccc2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol?
The InChIKey is WMVYUPRIADVLTH-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10Br2O/c15-12-8-11(9-13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-9,17H/b7-6+.
What are the key properties of 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol?
2,6-dibromo-4-[(E)-2-phenylethenyl]phenol has a molecular weight of 354.04 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-2-phenylethenyl]phenol is sourced from PubChem (CID 25129137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).