ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate

C15H18ClNO3 — CID 143225852

IUPACethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate
SMILESCCOC(=O)Cc1c(C)n(C)c2cc(Cl)c(OC)cc12
InChIInChI=1S/C15H18ClNO3/c1-5-20-15(18)7-10-9(2)17(3)13-8-12(16)14(19-4)6-11(10)13/h6,8H,5,7H2,1-4H3
InChIKeyUZSWCBFDADHEPF-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.25
Rot. Bonds4

About ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate

ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate (PubChem CID 143225852) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate
PubChem CID143225852
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Nameethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate
SMILESCCOC(=O)Cc1c(C)n(C)c2cc(Cl)c(OC)cc12
InChIInChI=1S/C15H18ClNO3/c1-5-20-15(18)7-10-9(2)17(3)13-8-12(16)14(19-4)6-11(10)13/h6,8H,5,7H2,1-4H3
InChIKeyUZSWCBFDADHEPF-UHFFFAOYSA-N
XLogP3.25
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[6-chloro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91081498
ethyl 2-(5-chloro-2-formyl-4-methoxyphenyl)acetate
CID 171005430
ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553976
3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one
CID 84640262
ethyl 2-[6-chloro-5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91121538
ethyl 2-(2-amino-6-chloro-3-methoxyphenyl)acetate
CID 171021744
ethyl 6-bromo-5-methoxy-1,2-dimethylindole-3-carboxylate
CID 748686
2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine
CID 82498772
2-[6-chloro-1-(5-fluorothiophene-3-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453737
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
N-butan-2-yl-2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 69486050
ethyl 2-(2-chloro-3-methoxy-6-methylphenyl)acetate
CID 171005738

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate?
The IUPAC name of ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate (CID 143225852) is ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate is CCOC(=O)Cc1c(C)n(C)c2cc(Cl)c(OC)cc12.
What is the InChIKey of ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate?
The InChIKey is UZSWCBFDADHEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-5-20-15(18)7-10-9(2)17(3)13-8-12(16)14(19-4)6-11(10)13/h6,8H,5,7H2,1-4H3.
What are the key properties of ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate?
ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate has a molecular weight of 295.77 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate is sourced from PubChem (CID 143225852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).