methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate

C13H14ClNO3 — CID 83947420

IUPACmethyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate
SMILESCOC(=O)c1cn(CCO)c2cc(Cl)c(C)cc12
InChIInChI=1S/C13H14ClNO3/c1-8-5-9-10(13(17)18-2)7-15(3-4-16)12(9)6-11(8)14/h5-7,16H,3-4H2,1-2H3
InChIKeyCHLOPTOVQJTILV-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.38
Rot. Bonds3

About methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate

methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate (PubChem CID 83947420) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate
PubChem CID83947420
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Namemethyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate
SMILESCOC(=O)c1cn(CCO)c2cc(Cl)c(C)cc12
InChIInChI=1S/C13H14ClNO3/c1-8-5-9-10(13(17)18-2)7-15(3-4-16)12(9)6-11(8)14/h5-7,16H,3-4H2,1-2H3
InChIKeyCHLOPTOVQJTILV-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone
CID 83947416
methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate
CID 83947485
1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol
CID 83944381
methyl 5-bromo-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83948124
methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947740
methyl 6-chloro-1-[2-(dimethylamino)ethyl]indole-3-carboxylate
CID 68504879
fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate
CID 144602812
3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419
methyl 6,7-dichloro-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947544
3-acetyl-1-(3-hydroxypropyl)-5-methylindole-6-carboxylic acid
CID 83947015
methyl 4,5-bis(4-chlorophenyl)-1-(2-hydroxyethyl)pyrrole-3-carboxylate
CID 70383305

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate?
The IUPAC name of methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate (CID 83947420) is methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate?
The canonical SMILES for methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate is COC(=O)c1cn(CCO)c2cc(Cl)c(C)cc12.
What is the InChIKey of methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate?
The InChIKey is CHLOPTOVQJTILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8-5-9-10(13(17)18-2)7-15(3-4-16)12(9)6-11(8)14/h5-7,16H,3-4H2,1-2H3.
What are the key properties of methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate?
methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate has a molecular weight of 267.71 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate is sourced from PubChem (CID 83947420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).