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

C14H9BrClF3O — CID 114982412

IUPAC[2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H9BrClF3O/c15-12-5-4-9(14(17,18)19)7-11(12)13(20)8-2-1-3-10(16)6-8/h1-7,13,20H
InChIKeyBGNLEGBVNIEMBU-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.20
Rot. Bonds2

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

[2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol (PubChem CID 114982412) has the molecular formula C14H9BrClF3O and a molecular weight of 365.58 g/mol. Its IUPAC name is [2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol.

Molecular Properties

Compound Name[2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
PubChem CID114982412
Molecular FormulaC14H9BrClF3O
Molecular Weight365.58 g/mol
Exact Mass363.95
IUPAC Name[2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H9BrClF3O/c15-12-5-4-9(14(17,18)19)7-11(12)13(20)8-2-1-3-10(16)6-8/h1-7,13,20H
InChIKeyBGNLEGBVNIEMBU-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 62691371
4-bromo-3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 142416644
[2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol
CID 114981057
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128
[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol
CID 114979165
(4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol
CID 171367472
1-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 115811105
2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 123373360
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 107978303

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol?
The IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol (CID 114982412) is [2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol.
What is the SMILES notation for [2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol?
The canonical SMILES for [2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol is OC(c1cccc(Cl)c1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of [2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol?
The InChIKey is BGNLEGBVNIEMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O/c15-12-5-4-9(14(17,18)19)7-11(12)13(20)8-2-1-3-10(16)6-8/h1-7,13,20H.
What are the key properties of [2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol?
[2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol has a molecular weight of 365.58 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol is sourced from PubChem (CID 114982412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).