1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene

C20H22 — CID 139043864

IUPAC1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene
SMILESCc1ccc(C2=C(c3ccccc3)C(C)(C)CC2)cc1
InChIInChI=1S/C20H22/c1-15-9-11-16(12-10-15)18-13-14-20(2,3)19(18)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3
InChIKeyAWTSUSRHVVGYHY-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.73
Rot. Bonds2

About 1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene

1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene (PubChem CID 139043864) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene
PubChem CID139043864
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene
SMILESCc1ccc(C2=C(c3ccccc3)C(C)(C)CC2)cc1
InChIInChI=1S/C20H22/c1-15-9-11-16(12-10-15)18-13-14-20(2,3)19(18)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3
InChIKeyAWTSUSRHVVGYHY-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene
CID 71399756
1,1'-biphenyl;toluene
CID 18366440
benzene;bis(1,4-xylene)
CID 159472747
(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 59224827
dimethylphosphane;1-methyl-4-phenylbenzene
CID 143300886
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene?
The IUPAC name of 1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene (CID 139043864) is 1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene.
What is the SMILES notation for 1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene?
The canonical SMILES for 1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene is Cc1ccc(C2=C(c3ccccc3)C(C)(C)CC2)cc1.
What is the InChIKey of 1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene?
The InChIKey is AWTSUSRHVVGYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-15-9-11-16(12-10-15)18-13-14-20(2,3)19(18)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene?
1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene has a molecular weight of 262.40 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene is sourced from PubChem (CID 139043864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).