3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole

C24H19NO2 — CID 162663840

IUPAC3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2cc3ccccc3o2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H19NO2/c1-26-18-12-10-16(11-13-18)24(20-15-25-21-8-4-3-7-19(20)21)23-14-17-6-2-5-9-22(17)27-23/h2-15,24-25H,1H3
InChIKeySUATXLLIJOIACZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP6.10
Rot. Bonds4

About 3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole

3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole (PubChem CID 162663840) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole
PubChem CID162663840
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2cc3ccccc3o2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H19NO2/c1-26-18-12-10-16(11-13-18)24(20-15-25-21-8-4-3-7-19(20)21)23-14-17-6-2-5-9-22(17)27-23/h2-15,24-25H,1H3
InChIKeySUATXLLIJOIACZ-UHFFFAOYSA-N
XLogP6.10
TPSA38.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole?
The IUPAC name of 3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole (CID 162663840) is 3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole is COc1ccc(C(c2cc3ccccc3o2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole?
The InChIKey is SUATXLLIJOIACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-26-18-12-10-16(11-13-18)24(20-15-25-21-8-4-3-7-19(20)21)23-14-17-6-2-5-9-22(17)27-23/h2-15,24-25H,1H3.
What are the key properties of 3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole?
3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole has a molecular weight of 353.42 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 162663840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).