[4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol

C20H14BrF3O — CID 70630111

IUPAC[4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(-c2ccc(Br)cc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14BrF3O/c21-18-10-8-14(9-11-18)13-4-6-15(7-5-13)19(25)16-2-1-3-17(12-16)20(22,23)24/h1-12,19,25H
InChIKeyKHZQJEWEAAEAEX-UHFFFAOYSA-N
MW407.23 g/mol
LogP6.22
Rot. Bonds3

About [4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol

[4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 70630111) has the molecular formula C20H14BrF3O and a molecular weight of 407.23 g/mol. Its IUPAC name is [4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol
PubChem CID70630111
Molecular FormulaC20H14BrF3O
Molecular Weight407.23 g/mol
Exact Mass406.02
IUPAC Name[4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(-c2ccc(Br)cc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14BrF3O/c21-18-10-8-14(9-11-18)13-4-6-15(7-5-13)19(25)16-2-1-3-17(12-16)20(22,23)24/h1-12,19,25H
InChIKeyKHZQJEWEAAEAEX-UHFFFAOYSA-N
XLogP6.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.23
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol (CID 70630111) is [4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol is OC(c1ccc(-c2ccc(Br)cc2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is KHZQJEWEAAEAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF3O/c21-18-10-8-14(9-11-18)13-4-6-15(7-5-13)19(25)16-2-1-3-17(12-16)20(22,23)24/h1-12,19,25H.
What are the key properties of [4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol?
[4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 407.23 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)phenyl]-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 70630111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).