3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one

C15H20O2 — CID 106681264

IUPAC3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one
SMILESCOc1cc(C)cc(C)c1C1CCC(=O)C1C
InChIInChI=1S/C15H20O2/c1-9-7-10(2)15(14(8-9)17-4)12-5-6-13(16)11(12)3/h7-8,11-12H,5-6H2,1-4H3
InChIKeyOVYWCXGBQLTAQF-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.39
Rot. Bonds2

About 3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one

3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one (PubChem CID 106681264) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one
PubChem CID106681264
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one
SMILESCOc1cc(C)cc(C)c1C1CCC(=O)C1C
InChIInChI=1S/C15H20O2/c1-9-7-10(2)15(14(8-9)17-4)12-5-6-13(16)11(12)3/h7-8,11-12H,5-6H2,1-4H3
InChIKeyOVYWCXGBQLTAQF-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 106681605
N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 106681604
3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 82811035
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106781898
3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane
CID 116864087
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294
1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine
CID 106681630
7-methoxy-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 68632948
(1R)-7-methoxy-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 130713773
N-cyclopropyl-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759510
3-(2,4-dimethylphenyl)sulfinyl-2-methylcyclopentan-1-one
CID 64909608

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one?
The IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one (CID 106681264) is 3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one?
The canonical SMILES for 3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one is COc1cc(C)cc(C)c1C1CCC(=O)C1C.
What is the InChIKey of 3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one?
The InChIKey is OVYWCXGBQLTAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-7-10(2)15(14(8-9)17-4)12-5-6-13(16)11(12)3/h7-8,11-12H,5-6H2,1-4H3.
What are the key properties of 3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one?
3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4,6-dimethylphenyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 106681264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).