(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone

C15H19NO3 — CID 63764476

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2C3CCC2CC(O)C3)c1O
InChIInChI=1S/C15H19NO3/c1-9-3-2-4-13(14(9)18)15(19)16-10-5-6-11(16)8-12(17)7-10/h2-4,10-12,17-18H,5-8H2,1H3
InChIKeyWYWPVQMIFFKRNG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.83
Rot. Bonds1

About (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone (PubChem CID 63764476) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone
PubChem CID63764476
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2C3CCC2CC(O)C3)c1O
InChIInChI=1S/C15H19NO3/c1-9-3-2-4-13(14(9)18)15(19)16-10-5-6-11(16)8-12(17)7-10/h2-4,10-12,17-18H,5-8H2,1H3
InChIKeyWYWPVQMIFFKRNG-UHFFFAOYSA-N
XLogP1.83
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764835
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107030038
(5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 115532857
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82830242
3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-pyridin-2-one
CID 63763273
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781785
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-methoxy-3-pyridinyl)methanone
CID 63763799
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2,6-dimethylphenyl)methanone
CID 114026510
(3-amino-2-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 115549075
[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 98176880
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-methyl-2-nitrophenyl)methanone
CID 61234416

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone (CID 63764476) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone is Cc1cccc(C(=O)N2C3CCC2CC(O)C3)c1O.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone?
The InChIKey is WYWPVQMIFFKRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-3-2-4-13(14(9)18)15(19)16-10-5-6-11(16)8-12(17)7-10/h2-4,10-12,17-18H,5-8H2,1H3.
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone has a molecular weight of 261.32 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 63764476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).