1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol

C13H13Cl2NO — CID 79107600

IUPAC1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO/c1-9(17)13-3-2-6-16(13)8-10-4-5-11(14)7-12(10)15/h2-7,9,17H,8H2,1H3
InChIKeyDOYOMYCJMKRQDZ-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.90
Rot. Bonds3

About 1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol

1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol (PubChem CID 79107600) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol
PubChem CID79107600
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO/c1-9(17)13-3-2-6-16(13)8-10-4-5-11(14)7-12(10)15/h2-7,9,17H,8H2,1H3
InChIKeyDOYOMYCJMKRQDZ-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol (CID 79107600) is 1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol is CC(O)c1cccn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol?
The InChIKey is DOYOMYCJMKRQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-9(17)13-3-2-6-16(13)8-10-4-5-11(14)7-12(10)15/h2-7,9,17H,8H2,1H3.
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol?
1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol has a molecular weight of 270.16 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 79107600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).