[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol

C17H12Cl3NO — CID 90910629

IUPAC[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol
SMILESOCc1ccc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl3NO/c18-11-1-4-13(5-2-11)21-14(10-22)6-8-17(21)15-7-3-12(19)9-16(15)20/h1-9,22H,10H2
InChIKeyXOBKGHBTOFDPAH-UHFFFAOYSA-N
MW352.65 g/mol
LogP5.60
Rot. Bonds3

About [1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol

[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol (PubChem CID 90910629) has the molecular formula C17H12Cl3NO and a molecular weight of 352.65 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol
PubChem CID90910629
Molecular FormulaC17H12Cl3NO
Molecular Weight352.65 g/mol
Exact Mass351.00
IUPAC Name[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol
SMILESOCc1ccc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl3NO/c18-11-1-4-13(5-2-11)21-14(10-22)6-8-17(21)15-7-3-12(19)9-16(15)20/h1-9,22H,10H2
InChIKeyXOBKGHBTOFDPAH-UHFFFAOYSA-N
XLogP5.60
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol (CID 90910629) is [1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol is OCc1ccc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol?
The InChIKey is XOBKGHBTOFDPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3NO/c18-11-1-4-13(5-2-11)21-14(10-22)6-8-17(21)15-7-3-12(19)9-16(15)20/h1-9,22H,10H2.
What are the key properties of [1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol?
[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol has a molecular weight of 352.65 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 90910629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).