2-[(4-cyclohexylphenoxy)methyl]pyridine

C18H21NO — CID 44522548

IUPAC2-[(4-cyclohexylphenoxy)methyl]pyridine
SMILESc1ccc(COc2ccc(C3CCCCC3)cc2)nc1
InChIInChI=1S/C18H21NO/c1-2-6-15(7-3-1)16-9-11-18(12-10-16)20-14-17-8-4-5-13-19-17/h4-5,8-13,15H,1-3,6-7,14H2
InChIKeyNXDJSDLXMLOCDU-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.71
Rot. Bonds4

About 2-[(4-cyclohexylphenoxy)methyl]pyridine

2-[(4-cyclohexylphenoxy)methyl]pyridine (PubChem CID 44522548) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(4-cyclohexylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-[(4-cyclohexylphenoxy)methyl]pyridine
PubChem CID44522548
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[(4-cyclohexylphenoxy)methyl]pyridine
SMILESc1ccc(COc2ccc(C3CCCCC3)cc2)nc1
InChIInChI=1S/C18H21NO/c1-2-6-15(7-3-1)16-9-11-18(12-10-16)20-14-17-8-4-5-13-19-17/h4-5,8-13,15H,1-3,6-7,14H2
InChIKeyNXDJSDLXMLOCDU-UHFFFAOYSA-N
XLogP4.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylphenoxy)methyl]pyridine?
The IUPAC name of 2-[(4-cyclohexylphenoxy)methyl]pyridine (CID 44522548) is 2-[(4-cyclohexylphenoxy)methyl]pyridine.
What is the SMILES notation for 2-[(4-cyclohexylphenoxy)methyl]pyridine?
The canonical SMILES for 2-[(4-cyclohexylphenoxy)methyl]pyridine is c1ccc(COc2ccc(C3CCCCC3)cc2)nc1.
What is the InChIKey of 2-[(4-cyclohexylphenoxy)methyl]pyridine?
The InChIKey is NXDJSDLXMLOCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-6-15(7-3-1)16-9-11-18(12-10-16)20-14-17-8-4-5-13-19-17/h4-5,8-13,15H,1-3,6-7,14H2.
What are the key properties of 2-[(4-cyclohexylphenoxy)methyl]pyridine?
2-[(4-cyclohexylphenoxy)methyl]pyridine has a molecular weight of 267.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylphenoxy)methyl]pyridine is sourced from PubChem (CID 44522548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).