(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol

C14H10BrF3O — CID 61100365

IUPAC(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10BrF3O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8,13,19H
InChIKeyXMANRJKUGIDYGL-UHFFFAOYSA-N
MW331.13 g/mol
LogP4.55
Rot. Bonds2

About (4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol

(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 61100365) has the molecular formula C14H10BrF3O and a molecular weight of 331.13 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID61100365
Molecular FormulaC14H10BrF3O
Molecular Weight331.13 g/mol
Exact Mass329.99
IUPAC Name(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10BrF3O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8,13,19H
InChIKeyXMANRJKUGIDYGL-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
CID 123699279
4-[(4-bromophenyl)-hydroxymethyl]phenol
CID 146871813
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
1-bromo-4-(trifluoromethyl)benzene;[4-(trifluoromethyl)phenyl]boronic acid
CID 159303524
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148068
1,3-dihydro-2-benzofuran-5-yl-[4-(trifluoromethyl)phenyl]methanol
CID 63019025
dichloromethane;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone
CID 90933922
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol (CID 61100365) is (4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is XMANRJKUGIDYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8,13,19H.
What are the key properties of (4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol?
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 331.13 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 61100365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).