4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

C17H15NO4 — CID 17368605

IUPAC4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccccc2C12OCC(COc1ccccc1)O2
InChIInChI=1S/C17H15NO4/c19-16-17(14-8-4-5-9-15(14)18-16)21-11-13(22-17)10-20-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,18,19)
InChIKeySMJOEJIUYCFPCZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.29
Rot. Bonds3

About 4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (PubChem CID 17368605) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
PubChem CID17368605
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccccc2C12OCC(COc1ccccc1)O2
InChIInChI=1S/C17H15NO4/c19-16-17(14-8-4-5-9-15(14)18-16)21-11-13(22-17)10-20-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,18,19)
InChIKeySMJOEJIUYCFPCZ-UHFFFAOYSA-N
XLogP2.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-[(4-chlorophenoxy)methyl]-1'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 1253453
(2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid
CID 91042294
4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91307632
(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 57225291
4-[(4-chlorophenoxy)methyl]-1'-[(4-phenylpiperazin-1-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 3534895
(2R,4S)-4-[(4-chlorophenoxy)methyl]-1'-[(4-phenylpiperazin-1-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 1285524
(2S,4S)-4-[(4-chlorophenoxy)methyl]-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 1273808
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
3,3-dimethyl-5-(oxiran-2-ylmethoxy)-1H-indol-2-one
CID 10082710
[4-(1,4-dioxaspiro[4.5]decan-3-ylmethoxy)phenyl]-diphenylsulfanium
CID 140699184

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The IUPAC name of 4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (CID 17368605) is 4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is O=C1Nc2ccccc2C12OCC(COc1ccccc1)O2.
What is the InChIKey of 4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The InChIKey is SMJOEJIUYCFPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-16-17(14-8-4-5-9-15(14)18-16)21-11-13(22-17)10-20-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,18,19).
What are the key properties of 4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one has a molecular weight of 297.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 17368605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).