2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol

C14H9Br2ClO — CID 45257593

IUPAC2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C14H9Br2ClO/c15-12-7-10(8-13(16)14(12)18)5-4-9-2-1-3-11(17)6-9/h1-8,18H/b5-4+
InChIKeyUUXNXQIDBIPIMP-SNAWJCMRSA-N
MW388.49 g/mol
LogP5.74
Rot. Bonds2

About 2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol

2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol (PubChem CID 45257593) has the molecular formula C14H9Br2ClO and a molecular weight of 388.49 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol
PubChem CID45257593
Molecular FormulaC14H9Br2ClO
Molecular Weight388.49 g/mol
Exact Mass385.87
IUPAC Name2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol
SMILESOc1c(Br)cc(/C=C/c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C14H9Br2ClO/c15-12-7-10(8-13(16)14(12)18)5-4-9-2-1-3-11(17)6-9/h1-8,18H/b5-4+
InChIKeyUUXNXQIDBIPIMP-SNAWJCMRSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.74
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-(3-chlorophenyl)ethenyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol (CID 45257593) is 2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol is Oc1c(Br)cc(/C=C/c2cccc(Cl)c2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol?
The InChIKey is UUXNXQIDBIPIMP-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H9Br2ClO/c15-12-7-10(8-13(16)14(12)18)5-4-9-2-1-3-11(17)6-9/h1-8,18H/b5-4+.
What are the key properties of 2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol?
2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol has a molecular weight of 388.49 g/mol, XLogP of 5.74, 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-(3-chlorophenyl)ethenyl]phenol is sourced from PubChem (CID 45257593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).