ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate

C14H19ClO5 — CID 18620089

IUPACethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate
SMILESCCOC(=O)COc1cc(Cl)c(CCO)cc1OCC
InChIInChI=1S/C14H19ClO5/c1-3-18-12-7-10(5-6-16)11(15)8-13(12)20-9-14(17)19-4-2/h7-8,16H,3-6,9H2,1-2H3
InChIKeyYVSAJQNGHYJYBT-UHFFFAOYSA-N
MW302.75 g/mol
LogP2.22
Rot. Bonds8

About ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate

ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate (PubChem CID 18620089) has the molecular formula C14H19ClO5 and a molecular weight of 302.75 g/mol. Its IUPAC name is ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate
PubChem CID18620089
Molecular FormulaC14H19ClO5
Molecular Weight302.75 g/mol
Exact Mass302.09
IUPAC Nameethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate
SMILESCCOC(=O)COc1cc(Cl)c(CCO)cc1OCC
InChIInChI=1S/C14H19ClO5/c1-3-18-12-7-10(5-6-16)11(15)8-13(12)20-9-14(17)19-4-2/h7-8,16H,3-6,9H2,1-2H3
InChIKeyYVSAJQNGHYJYBT-UHFFFAOYSA-N
XLogP2.22
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetate
CID 45371599
ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate
CID 166125448
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
2-chloro-4,5-diethoxybenzamide
CID 82268164
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-5-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 23523591
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 4-[(2-chloro-4,5-diethoxyphenyl)methylamino]benzoate
CID 66542035
ethyl 2-[5-(bromomethyl)-2-(2-ethoxy-2-oxoethoxy)-4-nitrophenoxy]acetate
CID 23523593
2-[[4-[2-(tert-butylamino)-2-oxoethoxy]-2-chloro-5-ethoxyphenyl]methylamino]acetic acid
CID 66531363
1-but-3-enyl-2-chloro-4,5-diethoxybenzene
CID 83943749
ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate
CID 143220496
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate (CID 18620089) is ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate is CCOC(=O)COc1cc(Cl)c(CCO)cc1OCC.
What is the InChIKey of ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate?
The InChIKey is YVSAJQNGHYJYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO5/c1-3-18-12-7-10(5-6-16)11(15)8-13(12)20-9-14(17)19-4-2/h7-8,16H,3-6,9H2,1-2H3.
What are the key properties of ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate?
ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate has a molecular weight of 302.75 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate is sourced from PubChem (CID 18620089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).