(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol

C14H9BrClF3O2 — CID 115566361

IUPAC(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H9BrClF3O2/c15-11-7-9(4-5-12(11)16)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13,20H
InChIKeyDTXWRCFOSZRSHH-UHFFFAOYSA-N
MW381.58 g/mol
LogP5.08
Rot. Bonds3

About (3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol

(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 115566361) has the molecular formula C14H9BrClF3O2 and a molecular weight of 381.58 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID115566361
Molecular FormulaC14H9BrClF3O2
Molecular Weight381.58 g/mol
Exact Mass379.94
IUPAC Name(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H9BrClF3O2/c15-11-7-9(4-5-12(11)16)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13,20H
InChIKeyDTXWRCFOSZRSHH-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.58
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63895294
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63894130
(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107969653
(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
CID 115566397
pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol
CID 105096572
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 82790039
4-chloro-1-[3-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 171894388
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol (CID 115566361) is (3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol is OC(c1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is DTXWRCFOSZRSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O2/c15-11-7-9(4-5-12(11)16)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13,20H.
What are the key properties of (3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 381.58 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 115566361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).