2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol

C13H13Cl2NO — CID 10612074

IUPAC2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
SMILESCn1ccc(C(O)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H13Cl2NO/c1-16-5-4-10(8-16)13(17)6-9-2-3-11(14)7-12(9)15/h2-5,7-8,13,17H,6H2,1H3
InChIKeyUPKQLVUIFXECOU-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.61
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol

2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol (PubChem CID 10612074) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
PubChem CID10612074
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
SMILESCn1ccc(C(O)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H13Cl2NO/c1-16-5-4-10(8-16)13(17)6-9-2-3-11(14)7-12(9)15/h2-5,7-8,13,17H,6H2,1H3
InChIKeyUPKQLVUIFXECOU-UHFFFAOYSA-N
XLogP3.61
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10704935
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 106695721
2-(2,4-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79704311
2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 63410917
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(1-methylpyrrol-3-yl)propane-1,3-diol
CID 82280202
2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116714
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol
CID 115785074
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 62796974

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol (CID 10612074) is 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol is Cn1ccc(C(O)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol?
The InChIKey is UPKQLVUIFXECOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-16-5-4-10(8-16)13(17)6-9-2-3-11(14)7-12(9)15/h2-5,7-8,13,17H,6H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol?
2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol has a molecular weight of 270.16 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol is sourced from PubChem (CID 10612074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).