2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one

C14H18O — CID 102201716

IUPAC2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
SMILESCc1ccccc1C1CCC(=O)C1(C)C
InChIInChI=1S/C14H18O/c1-10-6-4-5-7-11(10)12-8-9-13(15)14(12,2)3/h4-7,12H,8-9H2,1-3H3
InChIKeyLDGOEIRFZBZSST-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.47
Rot. Bonds1

About 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one

2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one (PubChem CID 102201716) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
PubChem CID102201716
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
SMILESCc1ccccc1C1CCC(=O)C1(C)C
InChIInChI=1S/C14H18O/c1-10-6-4-5-7-11(10)12-8-9-13(15)14(12,2)3/h4-7,12H,8-9H2,1-3H3
InChIKeyLDGOEIRFZBZSST-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-5-(2-methylphenyl)pyrrolidin-2-one
CID 124706826
(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129258085
(4R)-5,5-dimethyl-4-(2-methylphenyl)-1,3-oxazinan-2-one
CID 171188493
6-methyl-5-(2-methylphenyl)piperidin-2-one
CID 123290558
1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene
CID 126696164
1-cyclopropyl-2-(2-methylphenyl)cyclopropan-1-amine
CID 84661105
4,4-dimethyl-3-(2-methylphenyl)piperidine-2,6-dione
CID 79418120
2,5-bis(2-methylphenyl)-1-propylphospholane
CID 90109691
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 4674621
2-(2-methylphenyl)-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 3402510
(2R,4'R)-4'-(2-methylphenyl)spiro[1-benzofuran-2,5'-3,4-dihydropyrazole]-3-one
CID 15419880

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one?
The IUPAC name of 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one (CID 102201716) is 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one?
The canonical SMILES for 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one is Cc1ccccc1C1CCC(=O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one?
The InChIKey is LDGOEIRFZBZSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10-6-4-5-7-11(10)12-8-9-13(15)14(12,2)3/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one?
2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one is sourced from PubChem (CID 102201716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).