1-benzyl-2-(furan-3-yl)-5-methoxyindole

C20H17NO2 — CID 141287669

IUPAC1-benzyl-2-(furan-3-yl)-5-methoxyindole
SMILESCOc1ccc2c(c1)cc(-c1ccoc1)n2Cc1ccccc1
InChIInChI=1S/C20H17NO2/c1-22-18-7-8-19-17(11-18)12-20(16-9-10-23-14-16)21(19)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3
InChIKeyWXOJPGKRDHIMOX-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.96
Rot. Bonds4

About 1-benzyl-2-(furan-3-yl)-5-methoxyindole

1-benzyl-2-(furan-3-yl)-5-methoxyindole (PubChem CID 141287669) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-benzyl-2-(furan-3-yl)-5-methoxyindole.

Molecular Properties

Compound Name1-benzyl-2-(furan-3-yl)-5-methoxyindole
PubChem CID141287669
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name1-benzyl-2-(furan-3-yl)-5-methoxyindole
SMILESCOc1ccc2c(c1)cc(-c1ccoc1)n2Cc1ccccc1
InChIInChI=1S/C20H17NO2/c1-22-18-7-8-19-17(11-18)12-20(16-9-10-23-14-16)21(19)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3
InChIKeyWXOJPGKRDHIMOX-UHFFFAOYSA-N
XLogP4.96
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(furan-3-yl)-5-methoxyindol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 67684970
5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole
CID 164622798
1-benzyl-2-ethenyl-5-methoxyindole
CID 139256269
1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061790
3-[[2-(furan-2-yl)-5-methoxyindol-1-yl]methyl]benzoic acid
CID 67684562
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
1-benzyl-2-(5-methoxy-2-pyridinyl)indole
CID 157451859
ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate
CID 67684745
methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate
CID 67685235
4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline
CID 19779449
1-benzyl-2-phenylindole-5-carbonitrile
CID 134943475

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(furan-3-yl)-5-methoxyindole?
The IUPAC name of 1-benzyl-2-(furan-3-yl)-5-methoxyindole (CID 141287669) is 1-benzyl-2-(furan-3-yl)-5-methoxyindole.
What is the SMILES notation for 1-benzyl-2-(furan-3-yl)-5-methoxyindole?
The canonical SMILES for 1-benzyl-2-(furan-3-yl)-5-methoxyindole is COc1ccc2c(c1)cc(-c1ccoc1)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(furan-3-yl)-5-methoxyindole?
The InChIKey is WXOJPGKRDHIMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-22-18-7-8-19-17(11-18)12-20(16-9-10-23-14-16)21(19)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3.
What are the key properties of 1-benzyl-2-(furan-3-yl)-5-methoxyindole?
1-benzyl-2-(furan-3-yl)-5-methoxyindole has a molecular weight of 303.36 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(furan-3-yl)-5-methoxyindole is sourced from PubChem (CID 141287669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).