[6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone

C21H24ClNO2 — CID 143311484

IUPAC[6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone
SMILESCc1ccc(OCc2cccc(C(=O)C3C(C)CCC3C)n2)c(Cl)c1
InChIInChI=1S/C21H24ClNO2/c1-13-7-10-19(17(22)11-13)25-12-16-5-4-6-18(23-16)21(24)20-14(2)8-9-15(20)3/h4-7,10-11,14-15,20H,8-9,12H2,1-3H3
InChIKeyVOHUHZPTCOGXFE-UHFFFAOYSA-N
MW357.88 g/mol
LogP5.49
Rot. Bonds5

About [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone

[6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone (PubChem CID 143311484) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name[6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone
PubChem CID143311484
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name[6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone
SMILESCc1ccc(OCc2cccc(C(=O)C3C(C)CCC3C)n2)c(Cl)c1
InChIInChI=1S/C21H24ClNO2/c1-13-7-10-19(17(22)11-13)25-12-16-5-4-6-18(23-16)21(24)20-14(2)8-9-15(20)3/h4-7,10-11,14-15,20H,8-9,12H2,1-3H3
InChIKeyVOHUHZPTCOGXFE-UHFFFAOYSA-N
XLogP5.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.88
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone with MolForge

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Related Compounds

6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide
CID 58210807
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine
CID 167417070
N-cyclohexyl-6-[(2,4-dimethylphenoxy)methyl]pyridine-2-carboxamide
CID 58210525
6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903314
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]ethanone;4-methylheptane
CID 143311508
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908205
6-[(2-chloro-5-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 79238943
1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267704
2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 170746842
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446

Frequently Asked Questions

What is the IUPAC name of [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone?
The IUPAC name of [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone (CID 143311484) is [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone.
What is the SMILES notation for [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone?
The canonical SMILES for [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone is Cc1ccc(OCc2cccc(C(=O)C3C(C)CCC3C)n2)c(Cl)c1.
What is the InChIKey of [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone?
The InChIKey is VOHUHZPTCOGXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-13-7-10-19(17(22)11-13)25-12-16-5-4-6-18(23-16)21(24)20-14(2)8-9-15(20)3/h4-7,10-11,14-15,20H,8-9,12H2,1-3H3.
What are the key properties of [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone?
[6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone has a molecular weight of 357.88 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone is sourced from PubChem (CID 143311484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).