4-(2-bromo-2-chloroethenyl)phenol

C8H6BrClO — CID 91432346

IUPAC4-(2-bromo-2-chloroethenyl)phenol
SMILESOc1ccc(C=C(Cl)Br)cc1
InChIInChI=1S/C8H6BrClO/c9-8(10)5-6-1-3-7(11)4-2-6/h1-5,11H
InChIKeyFHJWESSAHZZUTI-UHFFFAOYSA-N
MW233.49 g/mol
LogP3.32
Rot. Bonds1

About 4-(2-bromo-2-chloroethenyl)phenol

4-(2-bromo-2-chloroethenyl)phenol (PubChem CID 91432346) has the molecular formula C8H6BrClO and a molecular weight of 233.49 g/mol. Its IUPAC name is 4-(2-bromo-2-chloroethenyl)phenol.

Molecular Properties

Compound Name4-(2-bromo-2-chloroethenyl)phenol
PubChem CID91432346
Molecular FormulaC8H6BrClO
Molecular Weight233.49 g/mol
Exact Mass231.93
IUPAC Name4-(2-bromo-2-chloroethenyl)phenol
SMILESOc1ccc(C=C(Cl)Br)cc1
InChIInChI=1S/C8H6BrClO/c9-8(10)5-6-1-3-7(11)4-2-6/h1-5,11H
InChIKeyFHJWESSAHZZUTI-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-2-chloroethenyl)phenol?
The IUPAC name of 4-(2-bromo-2-chloroethenyl)phenol (CID 91432346) is 4-(2-bromo-2-chloroethenyl)phenol.
What is the SMILES notation for 4-(2-bromo-2-chloroethenyl)phenol?
The canonical SMILES for 4-(2-bromo-2-chloroethenyl)phenol is Oc1ccc(C=C(Cl)Br)cc1.
What is the InChIKey of 4-(2-bromo-2-chloroethenyl)phenol?
The InChIKey is FHJWESSAHZZUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO/c9-8(10)5-6-1-3-7(11)4-2-6/h1-5,11H.
What are the key properties of 4-(2-bromo-2-chloroethenyl)phenol?
4-(2-bromo-2-chloroethenyl)phenol has a molecular weight of 233.49 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-2-chloroethenyl)phenol is sourced from PubChem (CID 91432346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).