(3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol

C14H9BrClF3O2 — CID 107947431

IUPAC(3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cc(Cl)cc(Br)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9BrClF3O2/c15-9-5-8(6-10(16)7-9)13(20)11-3-1-2-4-12(11)21-14(17,18)19/h1-7,13,20H
InChIKeyMCPCVAUTUVLROA-UHFFFAOYSA-N
MW381.58 g/mol
LogP5.08
Rot. Bonds3

About (3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol

(3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 107947431) has the molecular formula C14H9BrClF3O2 and a molecular weight of 381.58 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID107947431
Molecular FormulaC14H9BrClF3O2
Molecular Weight381.58 g/mol
Exact Mass379.94
IUPAC Name(3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cc(Cl)cc(Br)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9BrClF3O2/c15-9-5-8(6-10(16)7-9)13(20)11-3-1-2-4-12(11)21-14(17,18)19/h1-7,13,20H
InChIKeyMCPCVAUTUVLROA-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

(3,5-dibromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107978305
(4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792558
(3-bromo-5-chlorophenyl)-(2-chlorophenyl)methanol
CID 107947286
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
(3-bromo-2-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792552
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
(4-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792623
(3,5-dichlorophenyl)-(2-ethoxyphenyl)methanol
CID 63899517
(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 107978570
(R)-(2-bromophenyl)-(3,5-dichlorophenyl)methanol
CID 97293471
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
CID 114019455

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol (CID 107947431) is (3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol is OC(c1cc(Cl)cc(Br)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of (3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is MCPCVAUTUVLROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O2/c15-9-5-8(6-10(16)7-9)13(20)11-3-1-2-4-12(11)21-14(17,18)19/h1-7,13,20H.
What are the key properties of (3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
(3-bromo-5-chlorophenyl)-[2-(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-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 107947431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).