(5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one

C13H14O — CID 102317256

IUPAC(5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one
SMILESCc1ccc([C@@]2(C)CC=CC2=O)cc1
InChIInChI=1S/C13H14O/c1-10-5-7-11(8-6-10)13(2)9-3-4-12(13)14/h3-8H,9H2,1-2H3/t13-/m1/s1
InChIKeyIRHWVHUAYRCLIM-CYBMUJFWSA-N
MW186.25 g/mol
LogP2.78
Rot. Bonds1

About (5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one

(5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one (PubChem CID 102317256) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one
PubChem CID102317256
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one
SMILESCc1ccc([C@@]2(C)CC=CC2=O)cc1
InChIInChI=1S/C13H14O/c1-10-5-7-11(8-6-10)13(2)9-3-4-12(13)14/h3-8H,9H2,1-2H3/t13-/m1/s1
InChIKeyIRHWVHUAYRCLIM-CYBMUJFWSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-4-(4-methylphenyl)cyclohexane-1,3-dione
CID 23631201
(3S)-3,7-dimethyl-3-(4-methylphenyl)-2H-thiochromen-4-one
CID 59079081
2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one
CID 86243907
3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione
CID 134922179
2,2-dichloro-3-methyl-3-(4-methylphenyl)cyclobutan-1-one
CID 11831622
4,4-bis(4-methylphenyl)cyclohexan-1-one
CID 58095705
3-amino-3-(4-methylphenyl)cyclobutan-1-one
CID 115014531
1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene
CID 121221553
4-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 105444277
1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
CID 140825666
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxoazetidin-1-yl]propanamide
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CID 21015441

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one?
The IUPAC name of (5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one (CID 102317256) is (5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for (5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one?
The canonical SMILES for (5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one is Cc1ccc([C@@]2(C)CC=CC2=O)cc1.
What is the InChIKey of (5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one?
The InChIKey is IRHWVHUAYRCLIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14O/c1-10-5-7-11(8-6-10)13(2)9-3-4-12(13)14/h3-8H,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one?
(5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one has a molecular weight of 186.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-(4-methylphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 102317256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).