ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate

C13H14ClNO3 — CID 11708776

IUPACethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C13H14ClNO3/c1-3-18-13(17)12(16)10-7-15(2)11-6-8(14)4-5-9(10)11/h4-7,12,16H,3H2,1-2H3
InChIKeyFXQDOPBSQDAMAJ-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.43
Rot. Bonds3

About ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate

ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate (PubChem CID 11708776) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
PubChem CID11708776
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Nameethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C13H14ClNO3/c1-3-18-13(17)12(16)10-7-15(2)11-6-8(14)4-5-9(10)11/h4-7,12,16H,3H2,1-2H3
InChIKeyFXQDOPBSQDAMAJ-UHFFFAOYSA-N
XLogP2.43
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-(5-chloro-1-methylindol-3-yl)acetate
CID 115073226
ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate
CID 115073244
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
ethyl 2-amino-2-(6-bromo-1-methylindol-3-yl)acetate
CID 115073266
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
CID 162765497
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
diethyl 2-(1-benzoyl-6-chloroindol-3-yl)propanedioate
CID 142646985
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
7-chloro-3-ethylsulfanyl-1-methylquinolin-4-one
CID 13188128
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate (CID 11708776) is ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1cn(C)c2cc(Cl)ccc12.
What is the InChIKey of ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate?
The InChIKey is FXQDOPBSQDAMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-3-18-13(17)12(16)10-7-15(2)11-6-8(14)4-5-9(10)11/h4-7,12,16H,3H2,1-2H3.
What are the key properties of ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate?
ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate has a molecular weight of 267.71 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 11708776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).