1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol

C16H12BrNO2 — CID 91265222

IUPAC1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol
SMILESOc1cc(-c2ccccc2)c(O)n1-c1ccc(Br)cc1
InChIInChI=1S/C16H12BrNO2/c17-12-6-8-13(9-7-12)18-15(19)10-14(16(18)20)11-4-2-1-3-5-11/h1-10,19-20H
InChIKeyFIZCGSZWNBZGAL-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.32
Rot. Bonds2

About 1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol

1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol (PubChem CID 91265222) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol
PubChem CID91265222
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol
SMILESOc1cc(-c2ccccc2)c(O)n1-c1ccc(Br)cc1
InChIInChI=1S/C16H12BrNO2/c17-12-6-8-13(9-7-12)18-15(19)10-14(16(18)20)11-4-2-1-3-5-11/h1-10,19-20H
InChIKeyFIZCGSZWNBZGAL-UHFFFAOYSA-N
XLogP4.32
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol?
The IUPAC name of 1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol (CID 91265222) is 1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol.
What is the SMILES notation for 1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol?
The canonical SMILES for 1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol is Oc1cc(-c2ccccc2)c(O)n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol?
The InChIKey is FIZCGSZWNBZGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c17-12-6-8-13(9-7-12)18-15(19)10-14(16(18)20)11-4-2-1-3-5-11/h1-10,19-20H.
What are the key properties of 1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol?
1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol has a molecular weight of 330.18 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-phenylpyrrole-2,5-diol is sourced from PubChem (CID 91265222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).