methyl 6-phenylmethoxy-1H-indole-3-carboxylate

C17H15NO3 — CID 57455165

IUPACmethyl 6-phenylmethoxy-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C17H15NO3/c1-20-17(19)15-10-18-16-9-13(7-8-14(15)16)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3
InChIKeyJMYLTCHYKBERNN-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.53
Rot. Bonds4

About methyl 6-phenylmethoxy-1H-indole-3-carboxylate

methyl 6-phenylmethoxy-1H-indole-3-carboxylate (PubChem CID 57455165) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 6-phenylmethoxy-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-phenylmethoxy-1H-indole-3-carboxylate
PubChem CID57455165
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 6-phenylmethoxy-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C17H15NO3/c1-20-17(19)15-10-18-16-9-13(7-8-14(15)16)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3
InChIKeyJMYLTCHYKBERNN-UHFFFAOYSA-N
XLogP3.53
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-phenylmethoxy-1H-indole-4-carboxylate
CID 138110778
6-methoxy-N-(4-phenylmethoxyphenyl)-1H-indole-3-carboxamide
CID 113206666
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
2-(2-methoxycarbonyl-6-phenylmethoxynaphthalen-1-yl)acetic acid
CID 54112709
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
CID 139422927
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
CID 21071678
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 4-phenylmethoxy-2-(trifluoromethylsulfonyloxy)benzoate
CID 10739136

Frequently Asked Questions

What is the IUPAC name of methyl 6-phenylmethoxy-1H-indole-3-carboxylate?
The IUPAC name of methyl 6-phenylmethoxy-1H-indole-3-carboxylate (CID 57455165) is methyl 6-phenylmethoxy-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 6-phenylmethoxy-1H-indole-3-carboxylate?
The canonical SMILES for methyl 6-phenylmethoxy-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of methyl 6-phenylmethoxy-1H-indole-3-carboxylate?
The InChIKey is JMYLTCHYKBERNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-17(19)15-10-18-16-9-13(7-8-14(15)16)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3.
What are the key properties of methyl 6-phenylmethoxy-1H-indole-3-carboxylate?
methyl 6-phenylmethoxy-1H-indole-3-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-phenylmethoxy-1H-indole-3-carboxylate is sourced from PubChem (CID 57455165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).