methyl 6-phenylmethoxyindole-1-carboxylate

C17H15NO3 — CID 11448893

IUPACmethyl 6-phenylmethoxyindole-1-carboxylate
SMILESCOC(=O)n1ccc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C17H15NO3/c1-20-17(19)18-10-9-14-7-8-15(11-16(14)18)21-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyAOTVUOCZWDMLFE-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.83
Rot. Bonds3

About methyl 6-phenylmethoxyindole-1-carboxylate

methyl 6-phenylmethoxyindole-1-carboxylate (PubChem CID 11448893) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 6-phenylmethoxyindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-phenylmethoxyindole-1-carboxylate
PubChem CID11448893
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 6-phenylmethoxyindole-1-carboxylate
SMILESCOC(=O)n1ccc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C17H15NO3/c1-20-17(19)18-10-9-14-7-8-15(11-16(14)18)21-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyAOTVUOCZWDMLFE-UHFFFAOYSA-N
XLogP3.83
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-3-methyl-2-[[2-(6-phenylmethoxyindol-1-yl)acetyl]amino]butanoate
CID 124845049
1-phenyl-6-phenylmethoxyindole
CID 22049132
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate
CID 130229588
(2S,3S)-3-phenyl-3-(6-phenylmethoxyindol-1-yl)propane-1,2-diol
CID 69159723
methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate
CID 67636313
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate
CID 177163804
[1-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenylmethoxyindol-2-yl]boronic acid
CID 22309458

Frequently Asked Questions

What is the IUPAC name of methyl 6-phenylmethoxyindole-1-carboxylate?
The IUPAC name of methyl 6-phenylmethoxyindole-1-carboxylate (CID 11448893) is methyl 6-phenylmethoxyindole-1-carboxylate.
What is the SMILES notation for methyl 6-phenylmethoxyindole-1-carboxylate?
The canonical SMILES for methyl 6-phenylmethoxyindole-1-carboxylate is COC(=O)n1ccc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of methyl 6-phenylmethoxyindole-1-carboxylate?
The InChIKey is AOTVUOCZWDMLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-17(19)18-10-9-14-7-8-15(11-16(14)18)21-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of methyl 6-phenylmethoxyindole-1-carboxylate?
methyl 6-phenylmethoxyindole-1-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-phenylmethoxyindole-1-carboxylate is sourced from PubChem (CID 11448893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).