(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol

C13H8BrClF2O — CID 114019455

IUPAC(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
SMILESOC(c1cc(Cl)cc(Br)c1)c1c(F)cccc1F
InChIInChI=1S/C13H8BrClF2O/c14-8-4-7(5-9(15)6-8)13(18)12-10(16)2-1-3-11(12)17/h1-6,13,18H
InChIKeyGBFUAXNTVGOUNK-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.46
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol

(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol (PubChem CID 114019455) has the molecular formula C13H8BrClF2O and a molecular weight of 333.56 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
PubChem CID114019455
Molecular FormulaC13H8BrClF2O
Molecular Weight333.56 g/mol
Exact Mass331.94
IUPAC Name(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
SMILESOC(c1cc(Cl)cc(Br)c1)c1c(F)cccc1F
InChIInChI=1S/C13H8BrClF2O/c14-8-4-7(5-9(15)6-8)13(18)12-10(16)2-1-3-11(12)17/h1-6,13,18H
InChIKeyGBFUAXNTVGOUNK-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

[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 107948244
(4-bromophenyl)-(2,6-difluorophenyl)methanol
CID 61100872
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
N-[(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 107945874
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
CID 107955780
(3-bromo-5-chlorophenyl)-(2-chlorophenyl)methanol
CID 107947286
(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 107955397
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol
CID 79743340
(4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol
CID 115793233
(3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107947431
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
CID 79747618

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol (CID 114019455) is (3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol is OC(c1cc(Cl)cc(Br)c1)c1c(F)cccc1F.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol?
The InChIKey is GBFUAXNTVGOUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O/c14-8-4-7(5-9(15)6-8)13(18)12-10(16)2-1-3-11(12)17/h1-6,13,18H.
What are the key properties of (3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol?
(3-bromo-5-chlorophenyl)-(2,6-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 (3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 114019455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).