2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate

C15H18Cl2O5 — CID 95346545

IUPAC2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate
SMILESO=C(OCCOc1ccc(Cl)cc1Cl)[C@H](O)C1CCOCC1
InChIInChI=1S/C15H18Cl2O5/c16-11-1-2-13(12(17)9-11)21-7-8-22-15(19)14(18)10-3-5-20-6-4-10/h1-2,9-10,14,18H,3-8H2/t14-/m1/s1
InChIKeyJJUBFOJFCTXTKE-CQSZACIVSA-N
MW349.21 g/mol
LogP2.70
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate

2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate (PubChem CID 95346545) has the molecular formula C15H18Cl2O5 and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate
PubChem CID95346545
Molecular FormulaC15H18Cl2O5
Molecular Weight349.21 g/mol
Exact Mass348.05
IUPAC Name2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate
SMILESO=C(OCCOc1ccc(Cl)cc1Cl)[C@H](O)C1CCOCC1
InChIInChI=1S/C15H18Cl2O5/c16-11-1-2-13(12(17)9-11)21-7-8-22-15(19)14(18)10-3-5-20-6-4-10/h1-2,9-10,14,18H,3-8H2/t14-/m1/s1
InChIKeyJJUBFOJFCTXTKE-CQSZACIVSA-N
XLogP2.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate 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

3-[3-(2,4-dichlorophenoxy)propanoyl-(oxan-4-yl)amino]propanoic acid
CID 154750562
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673180
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786697
[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 932357
[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate
CID 91459026
(2S)-1-[3-(2,4-dichlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365280
2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610773
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate (CID 95346545) is 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate is O=C(OCCOc1ccc(Cl)cc1Cl)[C@H](O)C1CCOCC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate?
The InChIKey is JJUBFOJFCTXTKE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18Cl2O5/c16-11-1-2-13(12(17)9-11)21-7-8-22-15(19)14(18)10-3-5-20-6-4-10/h1-2,9-10,14,18H,3-8H2/t14-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate?
2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate has a molecular weight of 349.21 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl (2R)-2-hydroxy-2-(oxan-4-yl)acetate is sourced from PubChem (CID 95346545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).