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

C15H18ClNO2 — CID 115532857

IUPAC(5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H18ClNO2/c1-9-2-3-10(16)6-14(9)15(19)17-11-4-5-12(17)8-13(18)7-11/h2-3,6,11-13,18H,4-5,7-8H2,1H3
InChIKeyARDBTMOINOHIJU-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.78
Rot. Bonds1

About (5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 115532857) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID115532857
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name(5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H18ClNO2/c1-9-2-3-10(16)6-14(9)15(19)17-11-4-5-12(17)8-13(18)7-11/h2-3,6,11-13,18H,4-5,7-8H2,1H3
InChIKeyARDBTMOINOHIJU-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 115532857) is (5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Cc1ccc(Cl)cc1C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of (5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is ARDBTMOINOHIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-9-2-3-10(16)6-14(9)15(19)17-11-4-5-12(17)8-13(18)7-11/h2-3,6,11-13,18H,4-5,7-8H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 279.77 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 115532857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).