(2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene

C21H22 — CID 131720872

IUPAC(2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene
SMILESCC(C)(C1C=CC=C1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22/c1-21(2,19-15-9-10-16-19)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,19-20H,1-2H3
InChIKeyOBCKGQPQMVUQEP-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.59
Rot. Bonds4

About (2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene

(2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene (PubChem CID 131720872) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is (2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene.

Molecular Properties

Compound Name(2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene
PubChem CID131720872
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name(2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene
SMILESCC(C)(C1C=CC=C1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22/c1-21(2,19-15-9-10-16-19)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,19-20H,1-2H3
InChIKeyOBCKGQPQMVUQEP-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)benzene
CID 141345975
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene
CID 167432973
2,3-dimethyl-1,1-diphenylbutane-2,3-diol
CID 141069653
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
(2-benzhydryl-3-methyl-1-phenyl-2-propan-2-ylbutyl)benzene
CID 173440563
2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol
CID 12977900
acetaldehyde;benzene;(2,2,2-trifluoro-1-phenylethyl)benzene;hydrofluoride
CID 164965111
cumene;2-methoxy-2-methylpropane
CID 68666509
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
CID 139709796
(1-bromo-1,2,2-triphenylethyl)benzene
CID 122414724
[(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene
CID 102271818

Frequently Asked Questions

What is the IUPAC name of (2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene?
The IUPAC name of (2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene (CID 131720872) is (2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene.
What is the SMILES notation for (2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene?
The canonical SMILES for (2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene is CC(C)(C1C=CC=C1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene?
The InChIKey is OBCKGQPQMVUQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-21(2,19-15-9-10-16-19)20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,19-20H,1-2H3.
What are the key properties of (2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene?
(2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene has a molecular weight of 274.41 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene is sourced from PubChem (CID 131720872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).