methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate

C23H19NO3 — CID 71517932

IUPACmethyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C23H19NO3/c1-26-18-13-11-16(12-14-18)22-21(19-5-3-4-6-20(19)24-22)15-7-9-17(10-8-15)23(25)27-2/h3-14,24H,1-2H3
InChIKeyBQYLIQGZHJVAJS-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.30
Rot. Bonds4

About methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate

methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate (PubChem CID 71517932) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
PubChem CID71517932
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Namemethyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C23H19NO3/c1-26-18-13-11-16(12-14-18)22-21(19-5-3-4-6-20(19)24-22)15-7-9-17(10-8-15)23(25)27-2/h3-14,24H,1-2H3
InChIKeyBQYLIQGZHJVAJS-UHFFFAOYSA-N
XLogP5.30
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-(4-methylphenyl)-1H-indol-3-yl]benzoate
CID 15528443
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
methyl 3-[3-(4-methylsulfanylphenyl)-1H-indol-2-yl]benzoate
CID 71517933
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
CID 2437616
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
methyl 4-(14-phenylpentacen-5-yl)benzoate
CID 102261293
N-[3-(4-methoxyphenyl)-4-sulfanylidene-1H-quinolin-2-yl]benzamide
CID 139051317
ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate
CID 11441462
3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one
CID 70694151

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate?
The IUPAC name of methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate (CID 71517932) is methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate?
The canonical SMILES for methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate is COC(=O)c1ccc(-c2c(-c3ccc(OC)cc3)[nH]c3ccccc23)cc1.
What is the InChIKey of methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate?
The InChIKey is BQYLIQGZHJVAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-26-18-13-11-16(12-14-18)22-21(19-5-3-4-6-20(19)24-22)15-7-9-17(10-8-15)23(25)27-2/h3-14,24H,1-2H3.
What are the key properties of methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate?
methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate has a molecular weight of 357.41 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate is sourced from PubChem (CID 71517932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).