1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene

C19H20 — CID 144640126

IUPAC1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
SMILESCc1ccc(C2=CC=CC2)cc1.Cc1ccccc1
InChIInChI=1S/C12H12.C7H8/c1-10-6-8-12(9-7-10)11-4-2-3-5-11;1-7-5-3-2-4-6-7/h2-4,6-9H,5H2,1H3;2-6H,1H3
InChIKeySMTAROLECZJNDJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.33
Rot. Bonds1

About 1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene

1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene (PubChem CID 144640126) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
PubChem CID144640126
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
SMILESCc1ccc(C2=CC=CC2)cc1.Cc1ccccc1
InChIInChI=1S/C12H12.C7H8/c1-10-6-8-12(9-7-10)11-4-2-3-5-11;1-7-5-3-2-4-6-7/h2-4,6-9H,5H2,1H3;2-6H,1H3
InChIKeySMTAROLECZJNDJ-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
(4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane
CID 122378027
benzene;N-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 143529579
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
1-cyclopenta-1,3-dien-1-yl-4-ethynylbenzene
CID 101449090
N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline
CID 143032212
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
radon;toluene;1,4-xylene
CID 174747246
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
benzene;toluene
CID 158487474
2-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-5-[4-(4-methylphenyl)phenyl]-1,3,4-oxadiazole;2-(4-phenylphenyl)-1,3,4-oxadiazole
CID 143500504

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene (CID 144640126) is 1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene is Cc1ccc(C2=CC=CC2)cc1.Cc1ccccc1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene?
The InChIKey is SMTAROLECZJNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C7H8/c1-10-6-8-12(9-7-10)11-4-2-3-5-11;1-7-5-3-2-4-6-7/h2-4,6-9H,5H2,1H3;2-6H,1H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene?
1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene has a molecular weight of 248.37 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene is sourced from PubChem (CID 144640126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).