cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone

C15H20O3 — CID 82296372

IUPACcyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCC2)c(OC)c1C
InChIInChI=1S/C15H20O3/c1-10-13(17-2)9-8-12(15(10)18-3)14(16)11-6-4-5-7-11/h8-9,11H,4-7H2,1-3H3
InChIKeyOCXHHJOOISBMAY-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.39
Rot. Bonds4

About cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone

cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone (PubChem CID 82296372) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Namecyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone
PubChem CID82296372
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namecyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCC2)c(OC)c1C
InChIInChI=1S/C15H20O3/c1-10-13(17-2)9-8-12(15(10)18-3)14(16)11-6-4-5-7-11/h8-9,11H,4-7H2,1-3H3
InChIKeyOCXHHJOOISBMAY-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432869
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806504
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 110763375
1-(2,4-dimethoxy-3-methylphenyl)-3,3-dimethylbutan-1-one
CID 95461337
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone?
The IUPAC name of cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone (CID 82296372) is cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone.
What is the SMILES notation for cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone?
The canonical SMILES for cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone is COc1ccc(C(=O)C2CCCC2)c(OC)c1C.
What is the InChIKey of cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone?
The InChIKey is OCXHHJOOISBMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-13(17-2)9-8-12(15(10)18-3)14(16)11-6-4-5-7-11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone?
cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone has a molecular weight of 248.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone is sourced from PubChem (CID 82296372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).