2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene

C24H32 — CID 123216404

IUPAC2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(Cc2ccccc2CC2CC(C)CCC2C)c1
InChIInChI=1S/C24H32/c1-17-9-11-19(3)23(13-17)15-21-7-5-6-8-22(21)16-24-14-18(2)10-12-20(24)4/h5-9,11,13,18,20,24H,10,12,14-16H2,1-4H3
InChIKeyXMAMKMFCZYTJNQ-UHFFFAOYSA-N
MW320.52 g/mol
LogP6.51
Rot. Bonds4

About 2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene

2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene (PubChem CID 123216404) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene
PubChem CID123216404
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(Cc2ccccc2CC2CC(C)CCC2C)c1
InChIInChI=1S/C24H32/c1-17-9-11-19(3)23(13-17)15-21-7-5-6-8-22(21)16-24-14-18(2)10-12-20(24)4/h5-9,11,13,18,20,24H,10,12,14-16H2,1-4H3
InChIKeyXMAMKMFCZYTJNQ-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene (CID 123216404) is 2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene is Cc1ccc(C)c(Cc2ccccc2CC2CC(C)CCC2C)c1.
What is the InChIKey of 2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene?
The InChIKey is XMAMKMFCZYTJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-17-9-11-19(3)23(13-17)15-21-7-5-6-8-22(21)16-24-14-18(2)10-12-20(24)4/h5-9,11,13,18,20,24H,10,12,14-16H2,1-4H3.
What are the key properties of 2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene?
2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene has a molecular weight of 320.52 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,5-dimethylcyclohexyl)methyl]phenyl]methyl]-1,4-dimethylbenzene is sourced from PubChem (CID 123216404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).