1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene

C24H32 — CID 21045052

IUPAC1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene
SMILESCc1cc(C2(c3cc(C)c(C)c(C)c3)CCCCC2)cc(C)c1C
InChIInChI=1S/C24H32/c1-16-12-22(13-17(2)20(16)5)24(10-8-7-9-11-24)23-14-18(3)21(6)19(4)15-23/h12-15H,7-11H2,1-6H3
InChIKeyGPPBFSGNCNJJPB-UHFFFAOYSA-N
MW320.52 g/mol
LogP6.79
Rot. Bonds2

About 1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene

1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene (PubChem CID 21045052) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene
PubChem CID21045052
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene
SMILESCc1cc(C2(c3cc(C)c(C)c(C)c3)CCCCC2)cc(C)c1C
InChIInChI=1S/C24H32/c1-16-12-22(13-17(2)20(16)5)24(10-8-7-9-11-24)23-14-18(3)21(6)19(4)15-23/h12-15H,7-11H2,1-6H3
InChIKeyGPPBFSGNCNJJPB-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene?
The IUPAC name of 1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene (CID 21045052) is 1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene?
The canonical SMILES for 1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene is Cc1cc(C2(c3cc(C)c(C)c(C)c3)CCCCC2)cc(C)c1C.
What is the InChIKey of 1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene?
The InChIKey is GPPBFSGNCNJJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-16-12-22(13-17(2)20(16)5)24(10-8-7-9-11-24)23-14-18(3)21(6)19(4)15-23/h12-15H,7-11H2,1-6H3.
What are the key properties of 1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene?
1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene has a molecular weight of 320.52 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene is sourced from PubChem (CID 21045052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).