6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C21H21NO4 — CID 59352762

IUPAC6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C21H21NO4/c1-24-14-8-9-17-19(11-14)26-13-21(17)16-6-2-3-7-18(16)22(20(21)23)12-15-5-4-10-25-15/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3/t15-,21?/m1/s1
InChIKeyUQCNCMBVLQJSQL-RBFZIWAESA-N
MW351.40 g/mol
LogP2.90
Rot. Bonds3

About 6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352762) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352762
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C21H21NO4/c1-24-14-8-9-17-19(11-14)26-13-21(17)16-6-2-3-7-18(16)22(20(21)23)12-15-5-4-10-25-15/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3/t15-,21?/m1/s1
InChIKeyUQCNCMBVLQJSQL-RBFZIWAESA-N
XLogP2.90
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352762) is 6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21.
What is the InChIKey of 6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is UQCNCMBVLQJSQL-RBFZIWAESA-N. The full InChI is InChI=1S/C21H21NO4/c1-24-14-8-9-17-19(11-14)26-13-21(17)16-6-2-3-7-18(16)22(20(21)23)12-15-5-4-10-25-15/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3/t15-,21?/m1/s1.
What are the key properties of 6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 351.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).