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

C24H20BrNO — CID 161024379

IUPAC[4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol
SMILESCc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1ccc(CO)cc1
InChIInChI=1S/C24H20BrNO/c1-17-4-2-3-5-22(17)26-23(19-8-6-18(16-27)7-9-19)14-15-24(26)20-10-12-21(25)13-11-20/h2-15,27H,16H2,1H3
InChIKeyIJPTZJVGXNTKBX-UHFFFAOYSA-N
MW418.33 g/mol
LogP6.37
Rot. Bonds4

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

[4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol (PubChem CID 161024379) has the molecular formula C24H20BrNO and a molecular weight of 418.33 g/mol. Its IUPAC name is [4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol
PubChem CID161024379
Molecular FormulaC24H20BrNO
Molecular Weight418.33 g/mol
Exact Mass417.07
IUPAC Name[4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol
SMILESCc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1ccc(CO)cc1
InChIInChI=1S/C24H20BrNO/c1-17-4-2-3-5-22(17)26-23(19-8-6-18(16-27)7-9-19)14-15-24(26)20-10-12-21(25)13-11-20/h2-15,27H,16H2,1H3
InChIKeyIJPTZJVGXNTKBX-UHFFFAOYSA-N
XLogP6.37
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.33
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-Bromophenyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(dibutylamino)ethanol
CID 90669323
1-[2,6-Bis(4-bromophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol
CID 90669328
1-[2,6-Bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol
CID 90669337
[2-(4-Bromophenyl)-6-fluoroquinolin-4-yl]methanol
CID 69568872
(2-(4-Bromophenyl)-6-fluoro-3-methylquinolin-4-yl)methanol
CID 69644979
[3-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol
CID 135367991
3-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenol
CID 135368179
2-[[4-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methoxy]-N,N-dimethylethanamine
CID 142461412
2-(4-Bromophenyl)-5-[3-(methoxymethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole
CID 142461449
[4-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol
CID 142461497
[3-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methyl methanesulfonate
CID 148663950
2-[[4-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methoxy]-N,N-dimethylethanamine;hydrochloride
CID 154613346

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
The IUPAC name of [4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol (CID 161024379) is [4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol is Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1ccc(CO)cc1.
What is the InChIKey of [4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
The InChIKey is IJPTZJVGXNTKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO/c1-17-4-2-3-5-22(17)26-23(19-8-6-18(16-27)7-9-19)14-15-24(26)20-10-12-21(25)13-11-20/h2-15,27H,16H2,1H3.
What are the key properties of [4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
[4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol has a molecular weight of 418.33 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol is sourced from PubChem (CID 161024379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).