1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene

C15H18 — CID 142667155

IUPAC1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene
SMILESCc1cccc(C(C)(C)C2=CCC=C2)c1
InChIInChI=1S/C15H18/c1-12-7-6-10-14(11-12)15(2,3)13-8-4-5-9-13/h4,6-11H,5H2,1-3H3
InChIKeyCQZMEYZVTVXTIF-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.16
Rot. Bonds2

About 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene

1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene (PubChem CID 142667155) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene
PubChem CID142667155
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene
SMILESCc1cccc(C(C)(C)C2=CCC=C2)c1
InChIInChI=1S/C15H18/c1-12-7-6-10-14(11-12)15(2,3)13-8-4-5-9-13/h4,6-11H,5H2,1-3H3
InChIKeyCQZMEYZVTVXTIF-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-3-methylbenzene;titanium(4+);trichloride
CID 173385201
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene
CID 87377152
3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
CID 91047474
2-cyclopenta-1,4-dien-1-ylpropane-2-thiol
CID 174414235
2-[2-(3-methylphenyl)propan-2-yl]pyridine
CID 130252856
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 62595182
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene?
The IUPAC name of 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene (CID 142667155) is 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene.
What is the SMILES notation for 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene?
The canonical SMILES for 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene is Cc1cccc(C(C)(C)C2=CCC=C2)c1.
What is the InChIKey of 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene?
The InChIKey is CQZMEYZVTVXTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-12-7-6-10-14(11-12)15(2,3)13-8-4-5-9-13/h4,6-11H,5H2,1-3H3.
What are the key properties of 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene?
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene is sourced from PubChem (CID 142667155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).