6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C22H23NO4 — CID 59352665

IUPAC6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)OCC21C(=O)N(CC2CCCCO2)c2ccccc21
InChIInChI=1S/C22H23NO4/c1-25-15-9-10-18-20(12-15)27-14-22(18)17-7-2-3-8-19(17)23(21(22)24)13-16-6-4-5-11-26-16/h2-3,7-10,12,16H,4-6,11,13-14H2,1H3
InChIKeyLRIJTDJEHIKGDZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.29
Rot. Bonds3

About 6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352665) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352665
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)OCC21C(=O)N(CC2CCCCO2)c2ccccc21
InChIInChI=1S/C22H23NO4/c1-25-15-9-10-18-20(12-15)27-14-22(18)17-7-2-3-8-19(17)23(21(22)24)13-16-6-4-5-11-26-16/h2-3,7-10,12,16H,4-6,11,13-14H2,1H3
InChIKeyLRIJTDJEHIKGDZ-UHFFFAOYSA-N
XLogP3.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352665) is 6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is COc1ccc2c(c1)OCC21C(=O)N(CC2CCCCO2)c2ccccc21.
What is the InChIKey of 6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is LRIJTDJEHIKGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-15-9-10-18-20(12-15)27-14-22(18)17-7-2-3-8-19(17)23(21(22)24)13-16-6-4-5-11-26-16/h2-3,7-10,12,16H,4-6,11,13-14H2,1H3.
What are the key properties of 6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 365.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-(oxan-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).