chlorobenzene;ethyl 2-hydroxyacetate

C10H13ClO3 — CID 174326812

IUPACchlorobenzene;ethyl 2-hydroxyacetate
SMILESCCOC(=O)CO.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C4H8O3/c7-6-4-2-1-3-5-6;1-2-7-4(6)3-5/h1-5H;5H,2-3H2,1H3
InChIKeyLMUDZZDAQUXKCF-UHFFFAOYSA-N
MW216.66 g/mol
LogP1.88
Rot. Bonds2

About chlorobenzene;ethyl 2-hydroxyacetate

chlorobenzene;ethyl 2-hydroxyacetate (PubChem CID 174326812) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is chlorobenzene;ethyl 2-hydroxyacetate.

Molecular Properties

Compound Namechlorobenzene;ethyl 2-hydroxyacetate
PubChem CID174326812
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Namechlorobenzene;ethyl 2-hydroxyacetate
SMILESCCOC(=O)CO.Clc1ccccc1
InChIInChI=1S/C6H5Cl.C4H8O3/c7-6-4-2-1-3-5-6;1-2-7-4(6)3-5/h1-5H;5H,2-3H2,1H3
InChIKeyLMUDZZDAQUXKCF-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

chlorobenzene;diethyl 2-methylidenepropanedioate
CID 174760739
ethyl 2-phenylacetate
CID 7590
chlorobenzene;ethyl 2-methylprop-2-enoate;hydrate
CID 158184145
ethyl 2-phenylacetate;hydrate
CID 141257001
potassium;ethyl 2-hydroxyacetate;hydride
CID 174939573
ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
CID 14856955
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
CID 11695630
chlorobenzene;hydrazine
CID 69403092
(2-ethoxy-2-oxoethyl)-diphenylsulfanium
CID 15442561
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;ethyl 2-hydroxyacetate?
The IUPAC name of chlorobenzene;ethyl 2-hydroxyacetate (CID 174326812) is chlorobenzene;ethyl 2-hydroxyacetate.
What is the SMILES notation for chlorobenzene;ethyl 2-hydroxyacetate?
The canonical SMILES for chlorobenzene;ethyl 2-hydroxyacetate is CCOC(=O)CO.Clc1ccccc1.
What is the InChIKey of chlorobenzene;ethyl 2-hydroxyacetate?
The InChIKey is LMUDZZDAQUXKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C4H8O3/c7-6-4-2-1-3-5-6;1-2-7-4(6)3-5/h1-5H;5H,2-3H2,1H3.
What are the key properties of chlorobenzene;ethyl 2-hydroxyacetate?
chlorobenzene;ethyl 2-hydroxyacetate has a molecular weight of 216.66 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;ethyl 2-hydroxyacetate is sourced from PubChem (CID 174326812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).