ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate

C12H12ClNO3 — CID 115073313

IUPACethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C12H12ClNO3/c1-2-17-12(16)11(15)8-6-14-10-7(8)4-3-5-9(10)13/h3-6,11,14-15H,2H2,1H3
InChIKeyNSRVVKJOAFEKJZ-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.42
Rot. Bonds3

About ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate

ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate (PubChem CID 115073313) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
PubChem CID115073313
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Nameethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C12H12ClNO3/c1-2-17-12(16)11(15)8-6-14-10-7(8)4-3-5-9(10)13/h3-6,11,14-15H,2H2,1H3
InChIKeyNSRVVKJOAFEKJZ-UHFFFAOYSA-N
XLogP2.42
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1H-indol-3-yl)propan-1-amine
CID 76846666
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204
7-chloro-3-(2-methylpentan-3-yl)-1H-indole
CID 106985200
ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
CID 117416044
ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate
CID 117370501
ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate
CID 102584302
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073267
ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 115073299
diethyl 2-[(R)-(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedioate
CID 11153804
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate (CID 115073313) is ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1c[nH]c2c(Cl)cccc12.
What is the InChIKey of ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate?
The InChIKey is NSRVVKJOAFEKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-2-17-12(16)11(15)8-6-14-10-7(8)4-3-5-9(10)13/h3-6,11,14-15H,2H2,1H3.
What are the key properties of ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate?
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate has a molecular weight of 253.69 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 115073313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).