ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate

C13H14ClNO3 — CID 117422776

IUPACethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc2[nH]c(C)cc2cc1Cl
InChIInChI=1S/C13H14ClNO3/c1-3-18-13(17)12(16)9-6-11-8(5-10(9)14)4-7(2)15-11/h4-6,12,15-16H,3H2,1-2H3
InChIKeyBUYDWRDQMFKARE-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.73
Rot. Bonds3

About ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate

ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate (PubChem CID 117422776) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate
PubChem CID117422776
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Nameethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc2[nH]c(C)cc2cc1Cl
InChIInChI=1S/C13H14ClNO3/c1-3-18-13(17)12(16)9-6-11-8(5-10(9)14)4-7(2)15-11/h4-6,12,15-16H,3H2,1-2H3
InChIKeyBUYDWRDQMFKARE-UHFFFAOYSA-N
XLogP2.73
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate (CID 117422776) is ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc2[nH]c(C)cc2cc1Cl.
What is the InChIKey of ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate?
The InChIKey is BUYDWRDQMFKARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-3-18-13(17)12(16)9-6-11-8(5-10(9)14)4-7(2)15-11/h4-6,12,15-16H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate?
ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate has a molecular weight of 267.71 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-2-methyl-1H-indol-6-yl)-2-hydroxyacetate is sourced from PubChem (CID 117422776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).