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

C14H9BrClF3O2 — CID 115792558

IUPAC(4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(Br)c(Cl)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9BrClF3O2/c15-10-6-5-8(7-11(10)16)13(20)9-3-1-2-4-12(9)21-14(17,18)19/h1-7,13,20H
InChIKeyFWZABAVBYICHFQ-UHFFFAOYSA-N
MW381.58 g/mol
LogP5.08
Rot. Bonds3

About (4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol

(4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 115792558) has the molecular formula C14H9BrClF3O2 and a molecular weight of 381.58 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID115792558
Molecular FormulaC14H9BrClF3O2
Molecular Weight381.58 g/mol
Exact Mass379.94
IUPAC Name(4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(Br)c(Cl)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9BrClF3O2/c15-10-6-5-8(7-11(10)16)13(20)9-3-1-2-4-12(9)21-14(17,18)19/h1-7,13,20H
InChIKeyFWZABAVBYICHFQ-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-2-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792552
(3,5-dibromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107978305
(3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107947431
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
(4-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792623
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 106756171
(2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 114885764
(2-chloro-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63895624
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol (CID 115792558) is (4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol is OC(c1ccc(Br)c(Cl)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of (4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is FWZABAVBYICHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O2/c15-10-6-5-8(7-11(10)16)13(20)9-3-1-2-4-12(9)21-14(17,18)19/h1-7,13,20H.
What are the key properties of (4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
(4-bromo-3-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 (4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 115792558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).