ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate

C12H15ClO4 — CID 117400446

IUPACethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Cl)cc(CC)c1O
InChIInChI=1S/C12H15ClO4/c1-3-7-5-8(13)6-9(10(7)14)11(15)12(16)17-4-2/h5-6,11,14-15H,3-4H2,1-2H3
InChIKeyDIPWLKBVDOCOGM-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.20
Rot. Bonds4

About ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate

ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate (PubChem CID 117400446) has the molecular formula C12H15ClO4 and a molecular weight of 258.70 g/mol. Its IUPAC name is ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
PubChem CID117400446
Molecular FormulaC12H15ClO4
Molecular Weight258.70 g/mol
Exact Mass258.07
IUPAC Nameethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Cl)cc(CC)c1O
InChIInChI=1S/C12H15ClO4/c1-3-7-5-8(13)6-9(10(7)14)11(15)12(16)17-4-2/h5-6,11,14-15H,3-4H2,1-2H3
InChIKeyDIPWLKBVDOCOGM-UHFFFAOYSA-N
XLogP2.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117333208
ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117481023
ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117358770
ethyl 2-(6-chloro-1,3-benzodioxol-4-yl)-2-hydroxyacetate
CID 117400231
ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
CID 117108858
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
ethyl 2-(5-bromo-2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 117469979
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117335730
ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117329427
methyl 2-(5-bromo-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117466745
ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate
CID 70541390
ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117345048

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate (CID 117400446) is ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(Cl)cc(CC)c1O.
What is the InChIKey of ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate?
The InChIKey is DIPWLKBVDOCOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO4/c1-3-7-5-8(13)6-9(10(7)14)11(15)12(16)17-4-2/h5-6,11,14-15H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate?
ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate has a molecular weight of 258.70 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117400446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).