(1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene

C21H22 — CID 163514556

IUPAC(1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene
SMILESCC(CC1C=CC=CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22/c1-21(19-13-7-3-8-14-19,20-15-9-4-10-16-20)17-18-11-5-2-6-12-18/h2-11,13-16,18H,12,17H2,1H3
InChIKeyDFPAMXGPWZHTSG-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.51
Rot. Bonds4

About (1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene

(1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene (PubChem CID 163514556) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is (1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name(1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene
PubChem CID163514556
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name(1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene
SMILESCC(CC1C=CC=CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22/c1-21(19-13-7-3-8-14-19,20-15-9-4-10-16-20)17-18-11-5-2-6-12-18/h2-11,13-16,18H,12,17H2,1H3
InChIKeyDFPAMXGPWZHTSG-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-[(E)-2,2-dimethylpent-3-enyl]cyclohexa-1,3-diene
CID 164675018
cyclohexa-2,4-dien-1-ylmethylbenzene;ethane;bis(1,2,3,4,5,6-hexamethylbenzene);naphthalene
CID 159196331
3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
CID 102386981
1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one
CID 70951910
N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine
CID 90695649
(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)benzene
CID 141345975
5-propylcyclohexa-1,3-diene
CID 13212987
1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbutan-2-one
CID 12828212
[4-[7-cyclohexa-2,4-dien-1-yl-2-(4-hydroxyphenyl)heptan-2-yl]phenyl] [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] carbonate
CID 163853583
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol
CID 10559238
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene?
The IUPAC name of (1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene (CID 163514556) is (1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene.
What is the SMILES notation for (1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene?
The canonical SMILES for (1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene is CC(CC1C=CC=CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene?
The InChIKey is DFPAMXGPWZHTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-21(19-13-7-3-8-14-19,20-15-9-4-10-16-20)17-18-11-5-2-6-12-18/h2-11,13-16,18H,12,17H2,1H3.
What are the key properties of (1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene?
(1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene has a molecular weight of 274.41 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene is sourced from PubChem (CID 163514556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).