methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate

C18H17NO3 — CID 58437486

IUPACmethyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(OCc3ccccc3)c(C)cc2[nH]1
InChIInChI=1S/C18H17NO3/c1-12-8-15-14(9-16(19-15)18(20)21-2)10-17(12)22-11-13-6-4-3-5-7-13/h3-10,19H,11H2,1-2H3
InChIKeyPYPSZRCRUQZBJL-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.84
Rot. Bonds4

About methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate

methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate (PubChem CID 58437486) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate
PubChem CID58437486
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(OCc3ccccc3)c(C)cc2[nH]1
InChIInChI=1S/C18H17NO3/c1-12-8-15-14(9-16(19-15)18(20)21-2)10-17(12)22-11-13-6-4-3-5-7-13/h3-10,19H,11H2,1-2H3
InChIKeyPYPSZRCRUQZBJL-UHFFFAOYSA-N
XLogP3.84
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate
CID 72545836
methyl 5,6-dimethyl-1H-indole-2-carboxylate
CID 10867407
methyl 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 10709261
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 5-[4-(3-methyl-4-phenylmethoxyphenyl)heptan-4-yl]-1H-pyrrole-2-carboxylate
CID 177395567
ethyl 5-[(4-cyanophenyl)methoxy]-6-methoxy-1H-indole-2-carboxylate
CID 18185208
methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate
CID 171788735
5-fluoro-6-methyl-1H-indole-2-carboxylic acid;methyl 5-fluoro-6-methyl-1H-indole-2-carboxylate
CID 160768064
methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 71187027
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate (CID 58437486) is methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate is COC(=O)c1cc2cc(OCc3ccccc3)c(C)cc2[nH]1.
What is the InChIKey of methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate?
The InChIKey is PYPSZRCRUQZBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-8-15-14(9-16(19-15)18(20)21-2)10-17(12)22-11-13-6-4-3-5-7-13/h3-10,19H,11H2,1-2H3.
What are the key properties of methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate?
methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 58437486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).