methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate

C17H15NO3 — CID 15428719

IUPACmethyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3ccc(OC)cc3)c[nH]c2c1
InChIInChI=1S/C17H15NO3/c1-20-13-6-3-11(4-7-13)15-10-18-16-9-12(17(19)21-2)5-8-14(15)16/h3-10,18H,1-2H3
InChIKeyAAXHGCNKOKVBSH-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.63
Rot. Bonds3

About methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate

methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate (PubChem CID 15428719) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate
PubChem CID15428719
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3ccc(OC)cc3)c[nH]c2c1
InChIInChI=1S/C17H15NO3/c1-20-13-6-3-11(4-7-13)15-10-18-16-9-12(17(19)21-2)5-8-14(15)16/h3-10,18H,1-2H3
InChIKeyAAXHGCNKOKVBSH-UHFFFAOYSA-N
XLogP3.63
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-phenyl-1H-indole-6-carboxylate;2,2,2-trifluoroacetic acid
CID 131731077
methyl 3-(furan-3-yl)-1H-indole-6-carboxylate
CID 69005805
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
7-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 71356875
methyl 3-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-1H-indole-6-carboxylate
CID 56659515
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
methyl 3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxylate
CID 175133064
methyl 3-amino-4-(1H-indol-3-yl)benzoate
CID 175425319
methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 10946734
methyl 3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carboxylate
CID 170129473
7-methoxy-3-phenyl-1H-quinolin-4-one
CID 18771325

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate (CID 15428719) is methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate is COC(=O)c1ccc2c(-c3ccc(OC)cc3)c[nH]c2c1.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate?
The InChIKey is AAXHGCNKOKVBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-13-6-3-11(4-7-13)15-10-18-16-9-12(17(19)21-2)5-8-14(15)16/h3-10,18H,1-2H3.
What are the key properties of methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate?
methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate is sourced from PubChem (CID 15428719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).