2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one

C16H23NO2 — CID 79417074

IUPAC2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCOc1cccc(CC2CC(C(C)C)CCC2=O)n1
InChIInChI=1S/C16H23NO2/c1-11(2)12-7-8-15(18)13(9-12)10-14-5-4-6-16(17-14)19-3/h4-6,11-13H,7-10H2,1-3H3
InChIKeyIZAFFGDOLJXMFP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.27
Rot. Bonds4

About 2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one

2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 79417074) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID79417074
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCOc1cccc(CC2CC(C(C)C)CCC2=O)n1
InChIInChI=1S/C16H23NO2/c1-11(2)12-7-8-15(18)13(9-12)10-14-5-4-6-16(17-14)19-3/h4-6,11-13H,7-10H2,1-3H3
InChIKeyIZAFFGDOLJXMFP-UHFFFAOYSA-N
XLogP3.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one (CID 79417074) is 2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one is COc1cccc(CC2CC(C(C)C)CCC2=O)n1.
What is the InChIKey of 2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is IZAFFGDOLJXMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)12-7-8-15(18)13(9-12)10-14-5-4-6-16(17-14)19-3/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of 2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one?
2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 79417074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).