(2-bromo-4-fluorophenyl)methanol

C7H6BrFO — CID 2773347

IUPAC(2-bromo-4-fluorophenyl)methanol
SMILESOCc1ccc(F)cc1Br
InChIInChI=1S/C7H6BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
InChIKeyXGAMLBPEVCLQEJ-UHFFFAOYSA-N
MW205.03 g/mol
LogP2.08
Rot. Bonds1

About (2-bromo-4-fluorophenyl)methanol

(2-bromo-4-fluorophenyl)methanol (PubChem CID 2773347) has the molecular formula C7H6BrFO and a molecular weight of 205.03 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)methanol
PubChem CID2773347
Molecular FormulaC7H6BrFO
Molecular Weight205.03 g/mol
Exact Mass203.96
IUPAC Name(2-bromo-4-fluorophenyl)methanol
SMILESOCc1ccc(F)cc1Br
InChIInChI=1S/C7H6BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
InChIKeyXGAMLBPEVCLQEJ-UHFFFAOYSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)methanol (CID 2773347) is (2-bromo-4-fluorophenyl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)methanol is OCc1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)methanol?
The InChIKey is XGAMLBPEVCLQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2.
What are the key properties of (2-bromo-4-fluorophenyl)methanol?
(2-bromo-4-fluorophenyl)methanol has a molecular weight of 205.03 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)methanol is sourced from PubChem (CID 2773347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).