7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C16H21NO3 — CID 62230991

IUPAC7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1CCC2(CC1N1Cc3ccccc3C1)OCCO2
InChIInChI=1S/C16H21NO3/c18-15-5-6-16(19-7-8-20-16)9-14(15)17-10-12-3-1-2-4-13(12)11-17/h1-4,14-15,18H,5-11H2
InChIKeyDIDBJGZKZFNQTK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.66
Rot. Bonds1

About 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 62230991) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID62230991
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1CCC2(CC1N1Cc3ccccc3C1)OCCO2
InChIInChI=1S/C16H21NO3/c18-15-5-6-16(19-7-8-20-16)9-14(15)17-10-12-3-1-2-4-13(12)11-17/h1-4,14-15,18H,5-11H2
InChIKeyDIDBJGZKZFNQTK-UHFFFAOYSA-N
XLogP1.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 62230991) is 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1CCC2(CC1N1Cc3ccccc3C1)OCCO2.
What is the InChIKey of 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is DIDBJGZKZFNQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15-5-6-16(19-7-8-20-16)9-14(15)17-10-12-3-1-2-4-13(12)11-17/h1-4,14-15,18H,5-11H2.
What are the key properties of 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 275.35 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 62230991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).