1-(3-bromo-4-chlorophenyl)ethanol

C8H8BrClO — CID 90317738

IUPAC1-(3-bromo-4-chlorophenyl)ethanol
SMILESCC(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H8BrClO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3
InChIKeyRGOUFUGNDAWVER-UHFFFAOYSA-N
MW235.51 g/mol
LogP3.16
Rot. Bonds1

About 1-(3-bromo-4-chlorophenyl)ethanol

1-(3-bromo-4-chlorophenyl)ethanol (PubChem CID 90317738) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)ethanol
PubChem CID90317738
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name1-(3-bromo-4-chlorophenyl)ethanol
SMILESCC(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H8BrClO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3
InChIKeyRGOUFUGNDAWVER-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)ethanol (CID 90317738) is 1-(3-bromo-4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)ethanol is CC(O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)ethanol?
The InChIKey is RGOUFUGNDAWVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)ethanol?
1-(3-bromo-4-chlorophenyl)ethanol has a molecular weight of 235.51 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)ethanol is sourced from PubChem (CID 90317738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).