methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate

C17H15NO3 — CID 24793993

IUPACmethyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(CO)c(-c3ccccc3)c2c1
InChIInChI=1S/C17H15NO3/c1-21-17(20)12-7-8-14-13(9-12)16(15(10-19)18-14)11-5-3-2-4-6-11/h2-9,18-19H,10H2,1H3
InChIKeyXSGZCEBBNAFBKB-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.11
Rot. Bonds3

About methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate

methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate (PubChem CID 24793993) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate
PubChem CID24793993
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(CO)c(-c3ccccc3)c2c1
InChIInChI=1S/C17H15NO3/c1-21-17(20)12-7-8-14-13(9-12)16(15(10-19)18-14)11-5-3-2-4-6-11/h2-9,18-19H,10H2,1H3
InChIKeyXSGZCEBBNAFBKB-UHFFFAOYSA-N
XLogP3.11
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate (CID 24793993) is methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]c(CO)c(-c3ccccc3)c2c1.
What is the InChIKey of methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate?
The InChIKey is XSGZCEBBNAFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-17(20)12-7-8-14-13(9-12)16(15(10-19)18-14)11-5-3-2-4-6-11/h2-9,18-19H,10H2,1H3.
What are the key properties of methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate?
methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-3-phenyl-1H-indole-5-carboxylate is sourced from PubChem (CID 24793993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).