2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone

C15H20ClNO3 — CID 75436963

IUPAC2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESCC(O)CC1CCCN1C(=O)Cc1ccc(O)cc1Cl
InChIInChI=1S/C15H20ClNO3/c1-10(18)7-12-3-2-6-17(12)15(20)8-11-4-5-13(19)9-14(11)16/h4-5,9-10,12,18-19H,2-3,6-8H2,1H3
InChIKeyUZWGHKMYFPNVEX-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.35
Rot. Bonds4

About 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone

2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone (PubChem CID 75436963) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone
PubChem CID75436963
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone
SMILESCC(O)CC1CCCN1C(=O)Cc1ccc(O)cc1Cl
InChIInChI=1S/C15H20ClNO3/c1-10(18)7-12-3-2-6-17(12)15(20)8-11-4-5-13(19)9-14(11)16/h4-5,9-10,12,18-19H,2-3,6-8H2,1H3
InChIKeyUZWGHKMYFPNVEX-UHFFFAOYSA-N
XLogP2.35
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone 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 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone (CID 75436963) is 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone is CC(O)CC1CCCN1C(=O)Cc1ccc(O)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone?
The InChIKey is UZWGHKMYFPNVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(18)7-12-3-2-6-17(12)15(20)8-11-4-5-13(19)9-14(11)16/h4-5,9-10,12,18-19H,2-3,6-8H2,1H3.
What are the key properties of 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone?
2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone has a molecular weight of 297.78 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-hydroxyphenyl)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 75436963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).