1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene

C15H15- — CID 11985683

IUPAC1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene
SMILESCC(=Cc1ccc(C)cc1)[c-]1cccc1
InChIInChI=1S/C15H15/c1-12-7-9-14(10-8-12)11-13(2)15-5-3-4-6-15/h3-11H,1-2H3/q-1
InChIKeyHGCQSOAQHUIGQD-UHFFFAOYSA-N
MW195.28 g/mol
LogP4.27
Rot. Bonds2

About 1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene

1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene (PubChem CID 11985683) has the molecular formula C15H15- and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene
PubChem CID11985683
Molecular FormulaC15H15-
Molecular Weight195.28 g/mol
Exact Mass195.12
IUPAC Name1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene
SMILESCC(=Cc1ccc(C)cc1)[c-]1cccc1
InChIInChI=1S/C15H15/c1-12-7-9-14(10-8-12)11-13(2)15-5-3-4-6-15/h3-11H,1-2H3/q-1
InChIKeyHGCQSOAQHUIGQD-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-(4-methylphenyl)-1-trimethylsilylethenyl]silane
CID 14784450
1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286
2-(4-methylphenyl)-1-phosphanylethenol
CID 142187482
(E)-1-deuterio-2-methyl-3-(4-methylphenyl)prop-2-en-1-one
CID 167622217
1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
CID 173169574
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
1-(2,2-diisocyanoethenyl)-4-methylbenzene
CID 58090174
(E)-hydroxy-[(4-methylphenyl)methylidene]azanium
CID 23278307
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
4-methyl-5-(4-methylphenyl)pent-4-en-1-ol
CID 67332507
2-[(4-methylphenyl)methylidene]-1-phenylbutane-1,3-dione
CID 23267679

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene?
The IUPAC name of 1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene (CID 11985683) is 1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene.
What is the SMILES notation for 1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene?
The canonical SMILES for 1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene is CC(=Cc1ccc(C)cc1)[c-]1cccc1.
What is the InChIKey of 1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene?
The InChIKey is HGCQSOAQHUIGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15/c1-12-7-9-14(10-8-12)11-13(2)15-5-3-4-6-15/h3-11H,1-2H3/q-1.
What are the key properties of 1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene?
1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene has a molecular weight of 195.28 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-2,4-dien-1-ylprop-1-enyl)-4-methylbenzene is sourced from PubChem (CID 11985683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).