(3-bromo-4-chloro-2-fluorophenyl)methanol

C7H5BrClFO — CID 86222930

IUPAC(3-bromo-4-chloro-2-fluorophenyl)methanol
SMILESOCc1ccc(Cl)c(Br)c1F
InChIInChI=1S/C7H5BrClFO/c8-6-5(9)2-1-4(3-11)7(6)10/h1-2,11H,3H2
InChIKeyZTRDPYMNGHIYHD-UHFFFAOYSA-N
MW239.47 g/mol
LogP2.73
Rot. Bonds1

About (3-bromo-4-chloro-2-fluorophenyl)methanol

(3-bromo-4-chloro-2-fluorophenyl)methanol (PubChem CID 86222930) has the molecular formula C7H5BrClFO and a molecular weight of 239.47 g/mol. Its IUPAC name is (3-bromo-4-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-chloro-2-fluorophenyl)methanol
PubChem CID86222930
Molecular FormulaC7H5BrClFO
Molecular Weight239.47 g/mol
Exact Mass237.92
IUPAC Name(3-bromo-4-chloro-2-fluorophenyl)methanol
SMILESOCc1ccc(Cl)c(Br)c1F
InChIInChI=1S/C7H5BrClFO/c8-6-5(9)2-1-4(3-11)7(6)10/h1-2,11H,3H2
InChIKeyZTRDPYMNGHIYHD-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chloro-2-fluorophenyl)methanol?
The IUPAC name of (3-bromo-4-chloro-2-fluorophenyl)methanol (CID 86222930) is (3-bromo-4-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-chloro-2-fluorophenyl)methanol?
The canonical SMILES for (3-bromo-4-chloro-2-fluorophenyl)methanol is OCc1ccc(Cl)c(Br)c1F.
What is the InChIKey of (3-bromo-4-chloro-2-fluorophenyl)methanol?
The InChIKey is ZTRDPYMNGHIYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO/c8-6-5(9)2-1-4(3-11)7(6)10/h1-2,11H,3H2.
What are the key properties of (3-bromo-4-chloro-2-fluorophenyl)methanol?
(3-bromo-4-chloro-2-fluorophenyl)methanol has a molecular weight of 239.47 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 86222930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).