4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol

C23H18BrNO — CID 22387406

IUPAC4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol
SMILESCc1cc(-c2ccccc2)c(-c2ccc(O)cc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H18BrNO/c1-16-15-22(17-5-3-2-4-6-17)23(18-7-13-21(26)14-8-18)25(16)20-11-9-19(24)10-12-20/h2-15,26H,1H3
InChIKeyOSPUPFWCAJIHEV-UHFFFAOYSA-N
MW404.31 g/mol
LogP6.59
Rot. Bonds3

About 4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol

4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol (PubChem CID 22387406) has the molecular formula C23H18BrNO and a molecular weight of 404.31 g/mol. Its IUPAC name is 4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol
PubChem CID22387406
Molecular FormulaC23H18BrNO
Molecular Weight404.31 g/mol
Exact Mass403.06
IUPAC Name4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol
SMILESCc1cc(-c2ccccc2)c(-c2ccc(O)cc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H18BrNO/c1-16-15-22(17-5-3-2-4-6-17)23(18-7-13-21(26)14-8-18)25(16)20-11-9-19(24)10-12-20/h2-15,26H,1H3
InChIKeyOSPUPFWCAJIHEV-UHFFFAOYSA-N
XLogP6.59
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol?
The IUPAC name of 4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol (CID 22387406) is 4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol.
What is the SMILES notation for 4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol?
The canonical SMILES for 4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol is Cc1cc(-c2ccccc2)c(-c2ccc(O)cc2)n1-c1ccc(Br)cc1.
What is the InChIKey of 4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol?
The InChIKey is OSPUPFWCAJIHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrNO/c1-16-15-22(17-5-3-2-4-6-17)23(18-7-13-21(26)14-8-18)25(16)20-11-9-19(24)10-12-20/h2-15,26H,1H3.
What are the key properties of 4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol?
4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol has a molecular weight of 404.31 g/mol, XLogP of 6.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromophenyl)-5-methyl-3-phenylpyrrol-2-yl]phenol is sourced from PubChem (CID 22387406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).