ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate

C19H19NO3 — CID 22720009

IUPACethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(C)cc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C19H19NO3/c1-3-22-19(21)18-11-16-13(2)9-15(10-17(16)20-18)23-12-14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3
InChIKeyKWCIKHVURIOJHU-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.23
Rot. Bonds5

About ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate

ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate (PubChem CID 22720009) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate
PubChem CID22720009
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(C)cc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C19H19NO3/c1-3-22-19(21)18-11-16-13(2)9-15(10-17(16)20-18)23-12-14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3
InChIKeyKWCIKHVURIOJHU-UHFFFAOYSA-N
XLogP4.23
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 4-chloro-7-phenylmethoxy-1H-indole-2-carboxylate
CID 21194186
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylate
CID 25147379
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate
CID 72545836
[2-(benzylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471138
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
2-morpholin-4-ylethyl 6-phenylmethoxy-4-propan-2-yloxy-1H-indole-2-carboxylate
CID 156634339

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate (CID 22720009) is ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate is CCOC(=O)c1cc2c(C)cc(OCc3ccccc3)cc2[nH]1.
What is the InChIKey of ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate?
The InChIKey is KWCIKHVURIOJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-22-19(21)18-11-16-13(2)9-15(10-17(16)20-18)23-12-14-7-5-4-6-8-14/h4-11,20H,3,12H2,1-2H3.
What are the key properties of ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate?
ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 22720009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).