[3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol

C24H17BrF3NO — CID 135367991

IUPAC[3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C24H17BrF3NO/c25-19-10-8-17(9-11-19)21-12-13-22(18-5-3-4-16(14-18)15-30)29(21)23-7-2-1-6-20(23)24(26,27)28/h1-14,30H,15H2
InChIKeyWOKLSNZJHDJFGQ-UHFFFAOYSA-N
MW472.30 g/mol
LogP7.08
Rot. Bonds4

About [3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol

[3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol (PubChem CID 135367991) has the molecular formula C24H17BrF3NO and a molecular weight of 472.30 g/mol. Its IUPAC name is [3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol
PubChem CID135367991
Molecular FormulaC24H17BrF3NO
Molecular Weight472.30 g/mol
Exact Mass471.04
IUPAC Name[3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C24H17BrF3NO/c25-19-10-8-17(9-11-19)21-12-13-22(18-5-3-4-16(14-18)15-30)29(21)23-7-2-1-6-20(23)24(26,27)28/h1-14,30H,15H2
InChIKeyWOKLSNZJHDJFGQ-UHFFFAOYSA-N
XLogP7.08
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.30
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol?
The IUPAC name of [3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol (CID 135367991) is [3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol?
The canonical SMILES for [3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol is OCc1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of [3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol?
The InChIKey is WOKLSNZJHDJFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrF3NO/c25-19-10-8-17(9-11-19)21-12-13-22(18-5-3-4-16(14-18)15-30)29(21)23-7-2-1-6-20(23)24(26,27)28/h1-14,30H,15H2.
What are the key properties of [3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol?
[3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol has a molecular weight of 472.30 g/mol, XLogP of 7.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol is sourced from PubChem (CID 135367991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).