1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate

C14H20Cl2O6 — CID 174566379

IUPAC1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(O)(CO)CO.Clc1ccccc1Cl
InChIInChI=1S/C8H16O6.C6H4Cl2/c1-2-13-3-7(11)14-6-8(12,4-9)5-10;7-5-3-1-2-4-6(5)8/h9-10,12H,2-6H2,1H3;1-4H
InChIKeyFKIXYESZYOUJFK-UHFFFAOYSA-N
MW355.21 g/mol
LogP1.28
Rot. Bonds7

About 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate

1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate (PubChem CID 174566379) has the molecular formula C14H20Cl2O6 and a molecular weight of 355.21 g/mol. Its IUPAC name is 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate.

Molecular Properties

Compound Name1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate
PubChem CID174566379
Molecular FormulaC14H20Cl2O6
Molecular Weight355.21 g/mol
Exact Mass354.06
IUPAC Name1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(O)(CO)CO.Clc1ccccc1Cl
InChIInChI=1S/C8H16O6.C6H4Cl2/c1-2-13-3-7(11)14-6-8(12,4-9)5-10;7-5-3-1-2-4-6(5)8/h9-10,12H,2-6H2,1H3;1-4H
InChIKeyFKIXYESZYOUJFK-UHFFFAOYSA-N
XLogP1.28
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate 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

1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate
CID 174566378
copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-ethoxyacetate
CID 9289640
1,2-dichlorobenzene;ethoxyethane
CID 68845412
benzene;ethyl 2-ethoxyacetate
CID 174867683
1,2-dichlorobenzene;ethyl N-ethylcarbamate
CID 174679223
ethyl 2-[2-[(2-chlorophenyl)methylamino]ethoxy]acetate
CID 103232927
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-ethoxyacetate
CID 8709251
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
CID 2563950
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564011
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8014507

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate?
The IUPAC name of 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate (CID 174566379) is 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate.
What is the SMILES notation for 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate?
The canonical SMILES for 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate is CCOCC(=O)OCC(O)(CO)CO.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate?
The InChIKey is FKIXYESZYOUJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6.C6H4Cl2/c1-2-13-3-7(11)14-6-8(12,4-9)5-10;7-5-3-1-2-4-6(5)8/h9-10,12H,2-6H2,1H3;1-4H.
What are the key properties of 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate?
1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate has a molecular weight of 355.21 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate is sourced from PubChem (CID 174566379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).