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

C17H15NO3 — CID 138110778

IUPACmethyl 6-phenylmethoxy-1H-indole-4-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)cc2[nH]ccc12
InChIInChI=1S/C17H15NO3/c1-20-17(19)15-9-13(10-16-14(15)7-8-18-16)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3
InChIKeyIIZMYKPETDODDO-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.53
Rot. Bonds4

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

methyl 6-phenylmethoxy-1H-indole-4-carboxylate (PubChem CID 138110778) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 6-phenylmethoxy-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-phenylmethoxy-1H-indole-4-carboxylate
PubChem CID138110778
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 6-phenylmethoxy-1H-indole-4-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2)cc2[nH]ccc12
InChIInChI=1S/C17H15NO3/c1-20-17(19)15-9-13(10-16-14(15)7-8-18-16)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3
InChIKeyIIZMYKPETDODDO-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-3-carboxylate
CID 57455165
methyl 6-hydroxy-1H-indole-4-carboxylate
CID 76846746
methyl 6-[2-methyl-5-(5-methyl-2-phenylmethoxyphenyl)pyrrol-1-yl]-1H-indole-4-carboxylate
CID 142834934
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate
CID 166209612
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
methyl 6-fluoro-1H-indole-4-carboxylate
CID 46835634
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 2-(1,3-dihydroxypropan-2-ylamino)-5-phenylmethoxybenzoate
CID 67473501
6-methoxy-N-(4-phenylmethoxyphenyl)-1H-indole-3-carboxamide
CID 113206666
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate
CID 118992954

Frequently Asked Questions

What is the IUPAC name of methyl 6-phenylmethoxy-1H-indole-4-carboxylate?
The IUPAC name of methyl 6-phenylmethoxy-1H-indole-4-carboxylate (CID 138110778) is methyl 6-phenylmethoxy-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 6-phenylmethoxy-1H-indole-4-carboxylate?
The canonical SMILES for methyl 6-phenylmethoxy-1H-indole-4-carboxylate is COC(=O)c1cc(OCc2ccccc2)cc2[nH]ccc12.
What is the InChIKey of methyl 6-phenylmethoxy-1H-indole-4-carboxylate?
The InChIKey is IIZMYKPETDODDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-17(19)15-9-13(10-16-14(15)7-8-18-16)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-4-carboxylate?
methyl 6-phenylmethoxy-1H-indole-4-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-4-carboxylate is sourced from PubChem (CID 138110778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).