benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate

C19H19NO3 — CID 102166837

IUPACbenzyl 5-methoxy-2,3-dimethylindole-1-carboxylate
SMILESCOc1ccc2c(c1)c(C)c(C)n2C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO3/c1-13-14(2)20(18-10-9-16(22-3)11-17(13)18)19(21)23-12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyNJDZAVSEVNJJRG-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.45
Rot. Bonds3

About benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate

benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate (PubChem CID 102166837) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 5-methoxy-2,3-dimethylindole-1-carboxylate
PubChem CID102166837
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namebenzyl 5-methoxy-2,3-dimethylindole-1-carboxylate
SMILESCOc1ccc2c(c1)c(C)c(C)n2C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO3/c1-13-14(2)20(18-10-9-16(22-3)11-17(13)18)19(21)23-12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyNJDZAVSEVNJJRG-UHFFFAOYSA-N
XLogP4.45
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carboxylate
CID 154136063
(E)-1-(5-methoxy-2,3-dimethylindol-1-yl)-3-phenylprop-2-en-1-one
CID 142885299
benzyl 3-methoxy-4-methyl-2,5-dioxo-1-benzazepine-1-carboxylate
CID 70092493
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803
benzyl 4-(5-methoxy-2-methylindole-1-carbonyl)piperazine-1-carboxylate
CID 71733013
ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone
CID 142926296
propyl 3-fluoro-5-methoxy-2-methylindole-1-carboxylate
CID 122520618
(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
CID 67949207
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582
benzyl 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoate
CID 13217475
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
benzyl 2-iodo-5-methoxybenzoate
CID 172646545

Frequently Asked Questions

What is the IUPAC name of benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate?
The IUPAC name of benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate (CID 102166837) is benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate.
What is the SMILES notation for benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate?
The canonical SMILES for benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate is COc1ccc2c(c1)c(C)c(C)n2C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate?
The InChIKey is NJDZAVSEVNJJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-14(2)20(18-10-9-16(22-3)11-17(13)18)19(21)23-12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3.
What are the key properties of benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate?
benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-methoxy-2,3-dimethylindole-1-carboxylate is sourced from PubChem (CID 102166837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).