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

C24H20BrNO — CID 157182144

IUPAC[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol
SMILESCc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CO)c1
InChIInChI=1S/C24H20BrNO/c1-17-5-2-3-8-22(17)26-23(19-9-11-21(25)12-10-19)13-14-24(26)20-7-4-6-18(15-20)16-27/h2-15,27H,16H2,1H3
InChIKeyKTWYQBHORWNOFR-UHFFFAOYSA-N
MW418.33 g/mol
LogP6.37
Rot. Bonds4

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

[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol (PubChem CID 157182144) has the molecular formula C24H20BrNO and a molecular weight of 418.33 g/mol. Its IUPAC name is [3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol
PubChem CID157182144
Molecular FormulaC24H20BrNO
Molecular Weight418.33 g/mol
Exact Mass417.07
IUPAC Name[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol
SMILESCc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CO)c1
InChIInChI=1S/C24H20BrNO/c1-17-5-2-3-8-22(17)26-23(19-9-11-21(25)12-10-19)13-14-24(26)20-7-4-6-18(15-20)16-27/h2-15,27H,16H2,1H3
InChIKeyKTWYQBHORWNOFR-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

[3-[5-(4-Bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]methanol
CID 135367991
[1-[(3-Bromophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol
CID 140928465
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
[1-(4-bromobenzyl)-2-methyl-1H-indol-3-yl]methanol
CID 955521
[3-(1-Methylindol-2-yl)phenyl]methanol
CID 102120239
(4-Bromo-2-fluorophenyl)-(2-methylquinolin-6-yl)methanol
CID 81197964
(4-Bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol
CID 81432205
[1-[(4-Bromo-2-fluorophenyl)methyl]indol-5-yl]methanol
CID 102912914
1-(5-Bromo-4-fluoro-2-methylphenyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 107593884
(2-(4-Bromophenyl)-6-(4-fluorophenyl)pyridin-4-yl)methanol
CID 131955055

Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
The IUPAC name of [3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol (CID 157182144) is [3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
The canonical SMILES for [3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol is Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CO)c1.
What is the InChIKey of [3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
The InChIKey is KTWYQBHORWNOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO/c1-17-5-2-3-8-22(17)26-23(19-9-11-21(25)12-10-19)13-14-24(26)20-7-4-6-18(15-20)16-27/h2-15,27H,16H2,1H3.
What are the key properties of [3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol?
[3-[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 [3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methanol is sourced from PubChem (CID 157182144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).