8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol

C19H27NO3 — CID 74234956

IUPAC8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESCC1(C)Cc2cc(CN3CCC4(CC3)CC(O)CO4)ccc2O1
InChIInChI=1S/C19H27NO3/c1-18(2)10-15-9-14(3-4-17(15)23-18)12-20-7-5-19(6-8-20)11-16(21)13-22-19/h3-4,9,16,21H,5-8,10-13H2,1-2H3
InChIKeyORDFCFZDAQMBLF-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.52
Rot. Bonds2

About 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol

8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol (PubChem CID 74234956) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
PubChem CID74234956
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESCC1(C)Cc2cc(CN3CCC4(CC3)CC(O)CO4)ccc2O1
InChIInChI=1S/C19H27NO3/c1-18(2)10-15-9-14(3-4-17(15)23-18)12-20-7-5-19(6-8-20)11-16(21)13-22-19/h3-4,9,16,21H,5-8,10-13H2,1-2H3
InChIKeyORDFCFZDAQMBLF-UHFFFAOYSA-N
XLogP2.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol with MolForge

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Related Compounds

(5S)-9-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 99936096
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide
CID 126794663
7-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 77081415
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N,N-dimethylazepan-4-amine
CID 56916128
(4R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N,N-dimethylazepan-4-amine
CID 95729180
6-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
CID 126807038
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908504
2-(dimethylamino)-8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 74246970
8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74245813
(3aS,6aS)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 70746185
1-[(3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrolidin-3-yl]-4-ethylpiperazine
CID 97159105
4-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidin-4-yl]-5-methylpyrimidine
CID 74236987

Frequently Asked Questions

What is the IUPAC name of 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol (CID 74234956) is 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol is CC1(C)Cc2cc(CN3CCC4(CC3)CC(O)CO4)ccc2O1.
What is the InChIKey of 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The InChIKey is ORDFCFZDAQMBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-18(2)10-15-9-14(3-4-17(15)23-18)12-20-7-5-19(6-8-20)11-16(21)13-22-19/h3-4,9,16,21H,5-8,10-13H2,1-2H3.
What are the key properties of 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol has a molecular weight of 317.43 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 74234956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).