1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate

C15H22Cl2O5 — CID 174566378

IUPAC1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCCC(CO)CO.Clc1ccccc1Cl
InChIInChI=1S/C9H18O5.C6H4Cl2/c1-2-13-7-9(12)14-4-3-8(5-10)6-11;7-5-3-1-2-4-6(5)8/h8,10-11H,2-7H2,1H3;1-4H
InChIKeyXHAXBMFFUWFYPF-UHFFFAOYSA-N
MW353.24 g/mol
LogP2.55
Rot. Bonds8

About 1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate

1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate (PubChem CID 174566378) has the molecular formula C15H22Cl2O5 and a molecular weight of 353.24 g/mol. Its IUPAC name is 1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate.

Molecular Properties

Compound Name1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate
PubChem CID174566378
Molecular FormulaC15H22Cl2O5
Molecular Weight353.24 g/mol
Exact Mass352.08
IUPAC Name1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCCC(CO)CO.Clc1ccccc1Cl
InChIInChI=1S/C9H18O5.C6H4Cl2/c1-2-13-7-9(12)14-4-3-8(5-10)6-11;7-5-3-1-2-4-6(5)8/h8,10-11H,2-7H2,1H3;1-4H
InChIKeyXHAXBMFFUWFYPF-UHFFFAOYSA-N
XLogP2.55
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dichlorobenzene;[2,3-dihydroxy-2-(hydroxymethyl)propyl] 2-ethoxyacetate
CID 174566379
copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
1,2-dichlorobenzene;ethoxyethane
CID 68845412
benzene;ethyl 2-ethoxyacetate
CID 174867683
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
ethyl 2-[2-[(2-chlorophenyl)methylamino]ethoxy]acetate
CID 103232927
[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-ethoxyacetate
CID 9289640
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
7-methyloctyl 2-ethoxyacetate
CID 175943194
[4-hydroxy-3-(hydroxymethyl)butyl] acetate
CID 87761693
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol
CID 106459475

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate?
The IUPAC name of 1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate (CID 174566378) is 1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate.
What is the SMILES notation for 1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate?
The canonical SMILES for 1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate is CCOCC(=O)OCCC(CO)CO.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate?
The InChIKey is XHAXBMFFUWFYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5.C6H4Cl2/c1-2-13-7-9(12)14-4-3-8(5-10)6-11;7-5-3-1-2-4-6(5)8/h8,10-11H,2-7H2,1H3;1-4H.
What are the key properties of 1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate?
1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate has a molecular weight of 353.24 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;[4-hydroxy-3-(hydroxymethyl)butyl] 2-ethoxyacetate is sourced from PubChem (CID 174566378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).