4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one

C13H15Cl2NO3 — CID 175465750

IUPAC4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one
SMILESCC1C(c2c(O)ccc(Cl)c2Cl)CC(=O)N1CCO
InChIInChI=1S/C13H15Cl2NO3/c1-7-8(6-11(19)16(7)4-5-17)12-10(18)3-2-9(14)13(12)15/h2-3,7-8,17-18H,4-6H2,1H3
InChIKeyHPZQTBLGCBTOKU-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.40
Rot. Bonds3

About 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one

4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one (PubChem CID 175465750) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one
PubChem CID175465750
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one
SMILESCC1C(c2c(O)ccc(Cl)c2Cl)CC(=O)N1CCO
InChIInChI=1S/C13H15Cl2NO3/c1-7-8(6-11(19)16(7)4-5-17)12-10(18)3-2-9(14)13(12)15/h2-3,7-8,17-18H,4-6H2,1H3
InChIKeyHPZQTBLGCBTOKU-UHFFFAOYSA-N
XLogP2.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one (CID 175465750) is 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one is CC1C(c2c(O)ccc(Cl)c2Cl)CC(=O)N1CCO.
What is the InChIKey of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one?
The InChIKey is HPZQTBLGCBTOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-7-8(6-11(19)16(7)4-5-17)12-10(18)3-2-9(14)13(12)15/h2-3,7-8,17-18H,4-6H2,1H3.
What are the key properties of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one?
4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one has a molecular weight of 304.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 175465750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).