2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine

C18H28ClNO — CID 63471290

IUPAC2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC2CC(C(C)C)CCC2Cl)c1C
InChIInChI=1S/C18H28ClNO/c1-11(2)14-6-7-16(19)15(8-14)9-17-13(4)18(21-5)12(3)10-20-17/h10-11,14-16H,6-9H2,1-5H3
InChIKeyWXWICZAGQIFFQB-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.93
Rot. Bonds4

About 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine

2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 63471290) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID63471290
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC2CC(C(C)C)CCC2Cl)c1C
InChIInChI=1S/C18H28ClNO/c1-11(2)14-6-7-16(19)15(8-14)9-17-13(4)18(21-5)12(3)10-20-17/h10-11,14-16H,6-9H2,1-5H3
InChIKeyWXWICZAGQIFFQB-UHFFFAOYSA-N
XLogP4.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine (CID 63471290) is 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CC2CC(C(C)C)CCC2Cl)c1C.
What is the InChIKey of 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is WXWICZAGQIFFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-11(2)14-6-7-16(19)15(8-14)9-17-13(4)18(21-5)12(3)10-20-17/h10-11,14-16H,6-9H2,1-5H3.
What are the key properties of 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine?
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 309.88 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 63471290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).