4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid

C15H21NO4 — CID 114451198

IUPAC4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)nc(COC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H21NO4/c1-10-7-14(19-2)8-12(16-10)9-20-13-5-3-11(4-6-13)15(17)18/h7-8,11,13H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyLRBHXOZEOGGPTN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.56
Rot. Bonds5

About 4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid

4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid (PubChem CID 114451198) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid
PubChem CID114451198
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)nc(COC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H21NO4/c1-10-7-14(19-2)8-12(16-10)9-20-13-5-3-11(4-6-13)15(17)18/h7-8,11,13H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyLRBHXOZEOGGPTN-UHFFFAOYSA-N
XLogP2.56
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid (CID 114451198) is 4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid is COc1cc(C)nc(COC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid?
The InChIKey is LRBHXOZEOGGPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-7-14(19-2)8-12(16-10)9-20-13-5-3-11(4-6-13)15(17)18/h7-8,11,13H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid?
4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114451198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).