cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone

C13H12O — CID 15327731

IUPACcyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2C=CC=C2)cc1
InChIInChI=1S/C13H12O/c1-10-6-8-12(9-7-10)13(14)11-4-2-3-5-11/h2-9,11H,1H3
InChIKeyRPNSZVCYZMTWJV-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.92
Rot. Bonds2

About cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone

cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone (PubChem CID 15327731) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
PubChem CID15327731
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Namecyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2C=CC=C2)cc1
InChIInChI=1S/C13H12O/c1-10-6-8-12(9-7-10)13(14)11-4-2-3-5-11/h2-9,11H,1H3
InChIKeyRPNSZVCYZMTWJV-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
[(3R,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone
CID 1481126
trans-methyl (1S,2S)-2-(4-methylbenzoyl)cyclopropane-1-carboxylate
CID 99992932
(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone
CID 121222554
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanone
CID 13240543
(4-methylphenyl)-[(2R,3R)-3-(4-methylphenyl)oxiran-2-yl]methanone
CID 135933564
(4-methylphenyl)-[3-(4-methylphenyl)oxiran-2-yl]methanone
CID 159142458
4-methylbenzoyl chloride
CID 13405
ethane;4-methylbenzoyl iodide
CID 142151570
alumane;4-methylbenzoic acid
CID 173230362
indigane;4-methylbenzoic acid
CID 173230327

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone?
The IUPAC name of cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone (CID 15327731) is cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2C=CC=C2)cc1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone?
The InChIKey is RPNSZVCYZMTWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-10-6-8-12(9-7-10)13(14)11-4-2-3-5-11/h2-9,11H,1H3.
What are the key properties of cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone?
cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone has a molecular weight of 184.24 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 15327731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).