3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole

C26H17NO4 — CID 132918019

IUPAC3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1c(-c2cc3ccccc3o2)oc2cc3c(cc12)OCO3
InChIInChI=1S/C26H17NO4/c1-14-24(16-7-3-4-8-18(16)27-14)25-17-11-21-22(29-13-28-21)12-20(17)31-26(25)23-10-15-6-2-5-9-19(15)30-23/h2-12,27H,13H2,1H3
InChIKeyRRQBUJNHDTXLNO-UHFFFAOYSA-N
MW407.43 g/mol
LogP7.03
Rot. Bonds2

About 3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole

3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole (PubChem CID 132918019) has the molecular formula C26H17NO4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole
PubChem CID132918019
Molecular FormulaC26H17NO4
Molecular Weight407.43 g/mol
Exact Mass407.12
IUPAC Name3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1c(-c2cc3ccccc3o2)oc2cc3c(cc12)OCO3
InChIInChI=1S/C26H17NO4/c1-14-24(16-7-3-4-8-18(16)27-14)25-17-11-21-22(29-13-28-21)12-20(17)31-26(25)23-10-15-6-2-5-9-19(15)30-23/h2-12,27H,13H2,1H3
InChIKeyRRQBUJNHDTXLNO-UHFFFAOYSA-N
XLogP7.03
TPSA60.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole?
The IUPAC name of 3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole (CID 132918019) is 3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole?
The canonical SMILES for 3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1-c1c(-c2cc3ccccc3o2)oc2cc3c(cc12)OCO3.
What is the InChIKey of 3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole?
The InChIKey is RRQBUJNHDTXLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO4/c1-14-24(16-7-3-4-8-18(16)27-14)25-17-11-21-22(29-13-28-21)12-20(17)31-26(25)23-10-15-6-2-5-9-19(15)30-23/h2-12,27H,13H2,1H3.
What are the key properties of 3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole?
3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole has a molecular weight of 407.43 g/mol, XLogP of 7.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole is sourced from PubChem (CID 132918019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).