methyl 4-(5-methoxy-3H-indol-2-yl)benzoate

C17H15NO3 — CID 149248576

IUPACmethyl 4-(5-methoxy-3H-indol-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2=Nc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C17H15NO3/c1-20-14-7-8-15-13(9-14)10-16(18-15)11-3-5-12(6-4-11)17(19)21-2/h3-9H,10H2,1-2H3
InChIKeyXNPBWTHDTRAAHK-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.16
Rot. Bonds3

About methyl 4-(5-methoxy-3H-indol-2-yl)benzoate

methyl 4-(5-methoxy-3H-indol-2-yl)benzoate (PubChem CID 149248576) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 4-(5-methoxy-3H-indol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-methoxy-3H-indol-2-yl)benzoate
PubChem CID149248576
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 4-(5-methoxy-3H-indol-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2=Nc3ccc(OC)cc3C2)cc1
InChIInChI=1S/C17H15NO3/c1-20-14-7-8-15-13(9-14)10-16(18-15)11-3-5-12(6-4-11)17(19)21-2/h3-9H,10H2,1-2H3
InChIKeyXNPBWTHDTRAAHK-UHFFFAOYSA-N
XLogP3.16
TPSA47.89 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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methoxy-3H-indol-2-yl)benzoate?
The IUPAC name of methyl 4-(5-methoxy-3H-indol-2-yl)benzoate (CID 149248576) is methyl 4-(5-methoxy-3H-indol-2-yl)benzoate.
What is the SMILES notation for methyl 4-(5-methoxy-3H-indol-2-yl)benzoate?
The canonical SMILES for methyl 4-(5-methoxy-3H-indol-2-yl)benzoate is COC(=O)c1ccc(C2=Nc3ccc(OC)cc3C2)cc1.
What is the InChIKey of methyl 4-(5-methoxy-3H-indol-2-yl)benzoate?
The InChIKey is XNPBWTHDTRAAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-14-7-8-15-13(9-14)10-16(18-15)11-3-5-12(6-4-11)17(19)21-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-(5-methoxy-3H-indol-2-yl)benzoate?
methyl 4-(5-methoxy-3H-indol-2-yl)benzoate has a molecular weight of 281.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methoxy-3H-indol-2-yl)benzoate is sourced from PubChem (CID 149248576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).