(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol

C13H8BrClF2O — CID 61087730

IUPAC(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)cc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H8BrClF2O/c14-7-1-3-9(11(15)5-7)13(18)10-4-2-8(16)6-12(10)17/h1-6,13,18H
InChIKeyVMYFKLWAJTUOAV-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.46
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol

(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol (PubChem CID 61087730) has the molecular formula C13H8BrClF2O and a molecular weight of 333.56 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
PubChem CID61087730
Molecular FormulaC13H8BrClF2O
Molecular Weight333.56 g/mol
Exact Mass331.94
IUPAC Name(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)cc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H8BrClF2O/c14-7-1-3-9(11(15)5-7)13(18)10-4-2-8(16)6-12(10)17/h1-6,13,18H
InChIKeyVMYFKLWAJTUOAV-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089185
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61087673
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035
(2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol
CID 107538529
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-fluorophenyl)methanol
CID 106761336
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082809
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol (CID 61087730) is (4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol is OC(c1ccc(F)cc1F)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol?
The InChIKey is VMYFKLWAJTUOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O/c14-7-1-3-9(11(15)5-7)13(18)10-4-2-8(16)6-12(10)17/h1-6,13,18H.
What are the key properties of (4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol?
(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol has a molecular weight of 333.56 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 61087730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).