4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene

C22H24 — CID 172762408

IUPAC4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene
SMILESCc1ccc(C2(c3ccc(C)c(C)c3)C=CC=CC2)cc1C
InChIInChI=1S/C22H24/c1-16-8-10-20(14-18(16)3)22(12-6-5-7-13-22)21-11-9-17(2)19(4)15-21/h5-12,14-15H,13H2,1-4H3
InChIKeyLWCHRUORGIMBIS-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.72
Rot. Bonds2

About 4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene

4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene (PubChem CID 172762408) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene
PubChem CID172762408
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene
SMILESCc1ccc(C2(c3ccc(C)c(C)c3)C=CC=CC2)cc1C
InChIInChI=1S/C22H24/c1-16-8-10-20(14-18(16)3)22(12-6-5-7-13-22)21-11-9-17(2)19(4)15-21/h5-12,14-15H,13H2,1-4H3
InChIKeyLWCHRUORGIMBIS-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol
CID 159421128
[1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine
CID 65353601
5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
CID 175128214
1-(3,4-dimethylphenyl)cyclopropane-1-carbaldehyde
CID 83683025
1-(3,4-dimethylphenyl)cyclobutan-1-ol
CID 79081030
2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene
CID 175474100
1-(3,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 155643298
3-(3,4-dimethylphenyl)-3-fluorocyclobutan-1-amine
CID 112564188
2-(3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 66465151
1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole
CID 175362823
2-(3,4-dimethylphenyl)spiro[3.3]heptan-2-amine
CID 65009335
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene?
The IUPAC name of 4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene (CID 172762408) is 4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene is Cc1ccc(C2(c3ccc(C)c(C)c3)C=CC=CC2)cc1C.
What is the InChIKey of 4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene?
The InChIKey is LWCHRUORGIMBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-16-8-10-20(14-18(16)3)22(12-6-5-7-13-22)21-11-9-17(2)19(4)15-21/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene?
4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene has a molecular weight of 288.43 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethylphenyl)cyclohexa-2,4-dien-1-yl]-1,2-dimethylbenzene is sourced from PubChem (CID 172762408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).