methyl 4-methoxy-1-phenylindole-2-carboxylate

C17H15NO3 — CID 10493073

IUPACmethyl 4-methoxy-1-phenylindole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cccc2n1-c1ccccc1
InChIInChI=1S/C17H15NO3/c1-20-16-10-6-9-14-13(16)11-15(17(19)21-2)18(14)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyHKAMJKLREGBQTH-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.43
Rot. Bonds3

About methyl 4-methoxy-1-phenylindole-2-carboxylate

methyl 4-methoxy-1-phenylindole-2-carboxylate (PubChem CID 10493073) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 4-methoxy-1-phenylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1-phenylindole-2-carboxylate
PubChem CID10493073
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 4-methoxy-1-phenylindole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)cccc2n1-c1ccccc1
InChIInChI=1S/C17H15NO3/c1-20-16-10-6-9-14-13(16)11-15(17(19)21-2)18(14)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyHKAMJKLREGBQTH-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
CID 138857566
methyl 1-benzyl-4-(2-hydroxyethoxy)indole-2-carboxylate
CID 18522132
methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate
CID 10404037
methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate
CID 162411116
methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
N-butyl-4-methoxy-1-pyrimidin-2-ylindole-2-carboxamide
CID 122377454
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
methyl 1-benzyl-4-hydroxyindole-2-carboxylate
CID 18522126
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate
CID 25140716
2-chloro-1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
CID 138857576

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1-phenylindole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-1-phenylindole-2-carboxylate (CID 10493073) is methyl 4-methoxy-1-phenylindole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1-phenylindole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-1-phenylindole-2-carboxylate is COC(=O)c1cc2c(OC)cccc2n1-c1ccccc1.
What is the InChIKey of methyl 4-methoxy-1-phenylindole-2-carboxylate?
The InChIKey is HKAMJKLREGBQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-16-10-6-9-14-13(16)11-15(17(19)21-2)18(14)12-7-4-3-5-8-12/h3-11H,1-2H3.
What are the key properties of methyl 4-methoxy-1-phenylindole-2-carboxylate?
methyl 4-methoxy-1-phenylindole-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1-phenylindole-2-carboxylate is sourced from PubChem (CID 10493073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).