methyl 2-(7-chloro-1-methylindol-3-yl)acetate

C12H12ClNO2 — CID 84741199

IUPACmethyl 2-(7-chloro-1-methylindol-3-yl)acetate
SMILESCOC(=O)Cc1cn(C)c2c(Cl)cccc12
InChIInChI=1S/C12H12ClNO2/c1-14-7-8(6-11(15)16-2)9-4-3-5-10(13)12(9)14/h3-5,7H,6H2,1-2H3
InChIKeyQKPJWQDWGFZIPT-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.55
Rot. Bonds2

About methyl 2-(7-chloro-1-methylindol-3-yl)acetate

methyl 2-(7-chloro-1-methylindol-3-yl)acetate (PubChem CID 84741199) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is methyl 2-(7-chloro-1-methylindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-1-methylindol-3-yl)acetate
PubChem CID84741199
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Namemethyl 2-(7-chloro-1-methylindol-3-yl)acetate
SMILESCOC(=O)Cc1cn(C)c2c(Cl)cccc12
InChIInChI=1S/C12H12ClNO2/c1-14-7-8(6-11(15)16-2)9-4-3-5-10(13)12(9)14/h3-5,7H,6H2,1-2H3
InChIKeyQKPJWQDWGFZIPT-UHFFFAOYSA-N
XLogP2.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 82496899
N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine
CID 82499277
7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide
CID 58011401
methyl 2-(1-hydroxyindol-3-yl)acetate
CID 15081201
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299
2-(6,7-dichloro-1-methylindol-3-yl)acetic acid
CID 83944788
7-chloro-1-methyl-3-prop-1-en-2-ylindole
CID 163887392
(7-chloro-1-ethylindol-3-yl)methanol
CID 83522863
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
methyl 3-(2-amino-7-chlorobenzimidazol-1-yl)propanoate
CID 61294077
3-(7-chloro-1-ethylindol-3-yl)propanoic acid
CID 117197744
methyl 3-(7-methoxy-1-methylindol-3-yl)-3-oxopropanoate
CID 82666025

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-1-methylindol-3-yl)acetate?
The IUPAC name of methyl 2-(7-chloro-1-methylindol-3-yl)acetate (CID 84741199) is methyl 2-(7-chloro-1-methylindol-3-yl)acetate.
What is the SMILES notation for methyl 2-(7-chloro-1-methylindol-3-yl)acetate?
The canonical SMILES for methyl 2-(7-chloro-1-methylindol-3-yl)acetate is COC(=O)Cc1cn(C)c2c(Cl)cccc12.
What is the InChIKey of methyl 2-(7-chloro-1-methylindol-3-yl)acetate?
The InChIKey is QKPJWQDWGFZIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-14-7-8(6-11(15)16-2)9-4-3-5-10(13)12(9)14/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 2-(7-chloro-1-methylindol-3-yl)acetate?
methyl 2-(7-chloro-1-methylindol-3-yl)acetate has a molecular weight of 237.69 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloro-1-methylindol-3-yl)acetate is sourced from PubChem (CID 84741199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).