6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C21H21NO4 — CID 91267792

IUPAC6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCC1(CN2C(=O)C3(COc4cc(O)ccc43)c3ccccc32)CCCO1
InChIInChI=1S/C21H21NO4/c1-20(9-4-10-26-20)12-22-17-6-3-2-5-15(17)21(19(22)24)13-25-18-11-14(23)7-8-16(18)21/h2-3,5-8,11,23H,4,9-10,12-13H2,1H3
InChIKeyZPDVDGDGUVWKFY-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.99
Rot. Bonds2

About 6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 91267792) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID91267792
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCC1(CN2C(=O)C3(COc4cc(O)ccc43)c3ccccc32)CCCO1
InChIInChI=1S/C21H21NO4/c1-20(9-4-10-26-20)12-22-17-6-3-2-5-15(17)21(19(22)24)13-25-18-11-14(23)7-8-16(18)21/h2-3,5-8,11,23H,4,9-10,12-13H2,1H3
InChIKeyZPDVDGDGUVWKFY-UHFFFAOYSA-N
XLogP2.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
ethane;2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetamide
CID 91113408
3,3-dimethyl-1-[(2-methyloxiran-2-yl)methyl]indol-2-one
CID 87852847
2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde
CID 59352677
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
6-anilino-1'-pentylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59263516
6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
CID 67356544
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705
N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide
CID 66642704
(8S)-1'-(pyrimidin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352095
methyl 5-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]furan-2-carboxylate
CID 59352736
4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one
CID 59352543

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 91267792) is 6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is CC1(CN2C(=O)C3(COc4cc(O)ccc43)c3ccccc32)CCCO1.
What is the InChIKey of 6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is ZPDVDGDGUVWKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-20(9-4-10-26-20)12-22-17-6-3-2-5-15(17)21(19(22)24)13-25-18-11-14(23)7-8-16(18)21/h2-3,5-8,11,23H,4,9-10,12-13H2,1H3.
What are the key properties of 6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 351.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1'-[(2-methyloxolan-2-yl)methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 91267792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).