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

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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).