8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol

C24H29NO2 — CID 138696563

IUPAC8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1(c2ccccc2)COC2(CCN(CC3CCc4ccccc43)CC2)C1
InChIInChI=1S/C24H29NO2/c26-24(21-7-2-1-3-8-21)17-23(27-18-24)12-14-25(15-13-23)16-20-11-10-19-6-4-5-9-22(19)20/h1-9,20,26H,10-18H2
InChIKeyOUVBTOGHQHJMOI-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.86
Rot. Bonds3

About 8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol

8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol (PubChem CID 138696563) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol
PubChem CID138696563
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1(c2ccccc2)COC2(CCN(CC3CCc4ccccc43)CC2)C1
InChIInChI=1S/C24H29NO2/c26-24(21-7-2-1-3-8-21)17-23(27-18-24)12-14-25(15-13-23)16-20-11-10-19-6-4-5-9-22(19)20/h1-9,20,26H,10-18H2
InChIKeyOUVBTOGHQHJMOI-UHFFFAOYSA-N
XLogP3.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of 8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol (CID 138696563) is 8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol is OC1(c2ccccc2)COC2(CCN(CC3CCc4ccccc43)CC2)C1.
What is the InChIKey of 8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol?
The InChIKey is OUVBTOGHQHJMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c26-24(21-7-2-1-3-8-21)17-23(27-18-24)12-14-25(15-13-23)16-20-11-10-19-6-4-5-9-22(19)20/h1-9,20,26H,10-18H2.
What are the key properties of 8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol?
8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol has a molecular weight of 363.50 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-inden-1-ylmethyl)-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 138696563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).