4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole

C20H17NO2 — CID 56664932

IUPAC4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2ccc3c(-c4ccco4)cccc32)cc1
InChIInChI=1S/C20H17NO2/c1-22-16-9-7-15(8-10-16)14-21-12-11-17-18(4-2-5-19(17)21)20-6-3-13-23-20/h2-13H,14H2,1H3
InChIKeyIMQBIAUWWSREHE-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.96
Rot. Bonds4

About 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole

4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole (PubChem CID 56664932) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole.

Molecular Properties

Compound Name4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole
PubChem CID56664932
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2ccc3c(-c4ccco4)cccc32)cc1
InChIInChI=1S/C20H17NO2/c1-22-16-9-7-15(8-10-16)14-21-12-11-17-18(4-2-5-19(17)21)20-6-3-13-23-20/h2-13H,14H2,1H3
InChIKeyIMQBIAUWWSREHE-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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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole?
The IUPAC name of 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole (CID 56664932) is 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole.
What is the SMILES notation for 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole?
The canonical SMILES for 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole is COc1ccc(Cn2ccc3c(-c4ccco4)cccc32)cc1.
What is the InChIKey of 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole?
The InChIKey is IMQBIAUWWSREHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-22-16-9-7-15(8-10-16)14-21-12-11-17-18(4-2-5-19(17)21)20-6-3-13-23-20/h2-13H,14H2,1H3.
What are the key properties of 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole?
4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole 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 4-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]indole is sourced from PubChem (CID 56664932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).