3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one

C14H18O2 — CID 102450234

IUPAC3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
SMILESCOc1ccc(C2CCC(=O)C2(C)C)cc1
InChIInChI=1S/C14H18O2/c1-14(2)12(8-9-13(14)15)10-4-6-11(16-3)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKeyKMQFFFXMWIJYOZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.17
Rot. Bonds2

About 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one

3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one (PubChem CID 102450234) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
PubChem CID102450234
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
SMILESCOc1ccc(C2CCC(=O)C2(C)C)cc1
InChIInChI=1S/C14H18O2/c1-14(2)12(8-9-13(14)15)10-4-6-11(16-3)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKeyKMQFFFXMWIJYOZ-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
1-methoxy-4-[(1S,2R)-2-[(1R,2S)-2-(4-methoxyphenyl)-1-nitrocyclopropyl]-2-nitrocyclopropyl]benzene
CID 101168610
(8R)-8-(4-methoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
CID 7332817
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene
CID 143890955
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride
CID 21448625
1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 141398583
(6R)-6-(4-methoxyphenyl)-3,3,5,5-tetramethyloxane-2,4-dione
CID 723175

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one (CID 102450234) is 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one is COc1ccc(C2CCC(=O)C2(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one?
The InChIKey is KMQFFFXMWIJYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2)12(8-9-13(14)15)10-4-6-11(16-3)7-5-10/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one?
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 102450234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).