1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene

C21H22 — CID 143848256

IUPAC1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene
SMILESCC1=CC(C)C(c2cccc(-c3ccc(C)cc3)c2)C=C1
InChIInChI=1S/C21H22/c1-15-7-10-18(11-8-15)19-5-4-6-20(14-19)21-12-9-16(2)13-17(21)3/h4-14,17,21H,1-3H3
InChIKeyKVCKXSOMMBWAQS-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.90
Rot. Bonds2

About 1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene

1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene (PubChem CID 143848256) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene
PubChem CID143848256
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene
SMILESCC1=CC(C)C(c2cccc(-c3ccc(C)cc3)c2)C=C1
InChIInChI=1S/C21H22/c1-15-7-10-18(11-8-15)19-5-4-6-20(14-19)21-12-9-16(2)13-17(21)3/h4-14,17,21H,1-3H3
InChIKeyKVCKXSOMMBWAQS-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]benzene
CID 123830734
3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479897
5-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-benzothiazole
CID 91512940
ethane;3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479896
(2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol
CID 142057807
N,4-dimethyl-N-[3-methyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexa-1,5-dien-1-yl]aniline
CID 70848618
2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane
CID 170874299
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012
3-[6-methyl-3-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-5-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzonitrile
CID 166794550

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene?
The IUPAC name of 1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene (CID 143848256) is 1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene?
The canonical SMILES for 1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene is CC1=CC(C)C(c2cccc(-c3ccc(C)cc3)c2)C=C1.
What is the InChIKey of 1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene?
The InChIKey is KVCKXSOMMBWAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-15-7-10-18(11-8-15)19-5-4-6-20(14-19)21-12-9-16(2)13-17(21)3/h4-14,17,21H,1-3H3.
What are the key properties of 1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene?
1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene has a molecular weight of 274.41 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene is sourced from PubChem (CID 143848256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).