3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one

C15H20O2 — CID 116538548

IUPAC3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
SMILESCOc1cc(C)c(C2(C)CCC(=O)C2)cc1C
InChIInChI=1S/C15H20O2/c1-10-8-14(17-4)11(2)7-13(10)15(3)6-5-12(16)9-15/h7-8H,5-6,9H2,1-4H3
InChIKeyHVZGNYBGECYMHX-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.32
Rot. Bonds2

About 3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one

3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one (PubChem CID 116538548) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
PubChem CID116538548
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
SMILESCOc1cc(C)c(C2(C)CCC(=O)C2)cc1C
InChIInChI=1S/C15H20O2/c1-10-8-14(17-4)11(2)7-13(10)15(3)6-5-12(16)9-15/h7-8H,5-6,9H2,1-4H3
InChIKeyHVZGNYBGECYMHX-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 102755976
5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049150
3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538479
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-(2-ethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538437
3-(2-methoxypyrimidin-5-yl)-3-methylcyclopentan-1-one
CID 130533890
3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539814
3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CID 22218219
3-(3,4-diethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538472
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one?
The IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one (CID 116538548) is 3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one.
What is the SMILES notation for 3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one?
The canonical SMILES for 3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one is COc1cc(C)c(C2(C)CCC(=O)C2)cc1C.
What is the InChIKey of 3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one?
The InChIKey is HVZGNYBGECYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-8-14(17-4)11(2)7-13(10)15(3)6-5-12(16)9-15/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one?
3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one is sourced from PubChem (CID 116538548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).