bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol

C27H16Br2F6O — CID 101389705

IUPACbis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol
SMILESOC(c1c(Br)cc(-c2ccccc2)cc1C(F)(F)F)c1c(Br)cc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C27H16Br2F6O/c28-21-13-17(15-7-3-1-4-8-15)11-19(26(30,31)32)23(21)25(36)24-20(27(33,34)35)12-18(14-22(24)29)16-9-5-2-6-10-16/h1-14,25,36H
InChIKeyKVIYORPKLINOPS-UHFFFAOYSA-N
MW630.22 g/mol
LogP9.66
Rot. Bonds4

About bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol

bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol (PubChem CID 101389705) has the molecular formula C27H16Br2F6O and a molecular weight of 630.22 g/mol. Its IUPAC name is bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namebis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol
PubChem CID101389705
Molecular FormulaC27H16Br2F6O
Molecular Weight630.22 g/mol
Exact Mass627.95
IUPAC Namebis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol
SMILESOC(c1c(Br)cc(-c2ccccc2)cc1C(F)(F)F)c1c(Br)cc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C27H16Br2F6O/c28-21-13-17(15-7-3-1-4-8-15)11-19(26(30,31)32)23(21)25(36)24-20(27(33,34)35)12-18(14-22(24)29)16-9-5-2-6-10-16/h1-14,25,36H
InChIKeyKVIYORPKLINOPS-UHFFFAOYSA-N
XLogP9.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.22
LogP ≤ 59.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90669669
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CID 62608254
[5-Bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol
CID 138965301
[3,5-Bis[(5-bromo-2-fluorophenyl)-hydroxymethyl]-2,4,6-triethylphenyl]-(5-bromo-2-fluorophenyl)methanol
CID 139256776
(2-((3-Bromophenyl)difluoromethyl)-4,5-dimethylphenyl)methanol
CID 139592636
(1S,2R)-1-(6-bromonaphthalen-2-yl)-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol
CID 165415767
[17-Bromo-26-(hydroxymethyl)-7-heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1,3(12),4(9),5,7,10,13,15,17,19,21(30),22,24(29),25,27-pentadecaenyl]methanol
CID 134864958
1-(1-Bromo-2-naphthyl)ethanol
CID 67247455
(2,6-Dibromo-4-phenylphenyl)-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methanol
CID 101389703
alpha-(2-Bromophenyl)-4-(trifluoromethyl)benzenemethanol
CID 12319464
[5-Bromo-2-(2-methylphenyl)phenyl]-(2-fluorophenyl)methanol
CID 54143892
1-Bromo-2-[[[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]-phenylmethoxy]-phenylmethyl]-5-fluoro-3-(trifluoromethyl)benzene
CID 57251097

Frequently Asked Questions

What is the IUPAC name of bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol?
The IUPAC name of bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol (CID 101389705) is bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol is OC(c1c(Br)cc(-c2ccccc2)cc1C(F)(F)F)c1c(Br)cc(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol?
The InChIKey is KVIYORPKLINOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Br2F6O/c28-21-13-17(15-7-3-1-4-8-15)11-19(26(30,31)32)23(21)25(36)24-20(27(33,34)35)12-18(14-22(24)29)16-9-5-2-6-10-16/h1-14,25,36H.
What are the key properties of bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol?
bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol has a molecular weight of 630.22 g/mol, XLogP of 9.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 101389705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).