(2-bromo-6-chlorophenyl)methanol

C7H6BrClO — CID 50851014

IUPAC(2-bromo-6-chlorophenyl)methanol
SMILESOCc1c(Cl)cccc1Br
InChIInChI=1S/C7H6BrClO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChIKeyDSQZWWJHMYCKSE-UHFFFAOYSA-N
MW221.48 g/mol
LogP2.59
Rot. Bonds1

About (2-bromo-6-chlorophenyl)methanol

(2-bromo-6-chlorophenyl)methanol (PubChem CID 50851014) has the molecular formula C7H6BrClO and a molecular weight of 221.48 g/mol. Its IUPAC name is (2-bromo-6-chlorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-6-chlorophenyl)methanol
PubChem CID50851014
Molecular FormulaC7H6BrClO
Molecular Weight221.48 g/mol
Exact Mass219.93
IUPAC Name(2-bromo-6-chlorophenyl)methanol
SMILESOCc1c(Cl)cccc1Br
InChIInChI=1S/C7H6BrClO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChIKeyDSQZWWJHMYCKSE-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chlorophenyl)methanol?
The IUPAC name of (2-bromo-6-chlorophenyl)methanol (CID 50851014) is (2-bromo-6-chlorophenyl)methanol.
What is the SMILES notation for (2-bromo-6-chlorophenyl)methanol?
The canonical SMILES for (2-bromo-6-chlorophenyl)methanol is OCc1c(Cl)cccc1Br.
What is the InChIKey of (2-bromo-6-chlorophenyl)methanol?
The InChIKey is DSQZWWJHMYCKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2.
What are the key properties of (2-bromo-6-chlorophenyl)methanol?
(2-bromo-6-chlorophenyl)methanol has a molecular weight of 221.48 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-chlorophenyl)methanol is sourced from PubChem (CID 50851014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).