[4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol

C17H14BrNO — CID 3773894

IUPAC[4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1c[nH]cc1-c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO/c18-14-8-6-12(7-9-14)15-10-19-11-16(15)17(20)13-4-2-1-3-5-13/h1-11,17,19-20H
InChIKeyAZIRDFULJUAZDP-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.53
Rot. Bonds3

About [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol

[4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol (PubChem CID 3773894) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol
PubChem CID3773894
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name[4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1c[nH]cc1-c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO/c18-14-8-6-12(7-9-14)15-10-19-11-16(15)17(20)13-4-2-1-3-5-13/h1-11,17,19-20H
InChIKeyAZIRDFULJUAZDP-UHFFFAOYSA-N
XLogP4.53
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol?
The IUPAC name of [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol (CID 3773894) is [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol.
What is the SMILES notation for [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol?
The canonical SMILES for [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol is OC(c1ccccc1)c1c[nH]cc1-c1ccc(Br)cc1.
What is the InChIKey of [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol?
The InChIKey is AZIRDFULJUAZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-14-8-6-12(7-9-14)15-10-19-11-16(15)17(20)13-4-2-1-3-5-13/h1-11,17,19-20H.
What are the key properties of [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol?
[4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol has a molecular weight of 328.21 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)-1H-pyrrol-3-yl]-phenylmethanol is sourced from PubChem (CID 3773894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).