1-(1,3-diphenylbutyl)-2,4-dimethylbenzene

C24H26 — CID 3019812

IUPAC1-(1,3-diphenylbutyl)-2,4-dimethylbenzene
SMILESCc1ccc(C(CC(C)c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C24H26/c1-18-14-15-23(20(3)16-18)24(22-12-8-5-9-13-22)17-19(2)21-10-6-4-7-11-21/h4-16,19,24H,17H2,1-3H3
InChIKeyCVMZUUAJZMBCDI-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.63
Rot. Bonds5

About 1-(1,3-diphenylbutyl)-2,4-dimethylbenzene

1-(1,3-diphenylbutyl)-2,4-dimethylbenzene (PubChem CID 3019812) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(1,3-diphenylbutyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(1,3-diphenylbutyl)-2,4-dimethylbenzene
PubChem CID3019812
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1-(1,3-diphenylbutyl)-2,4-dimethylbenzene
SMILESCc1ccc(C(CC(C)c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C24H26/c1-18-14-15-23(20(3)16-18)24(22-12-8-5-9-13-22)17-19(2)21-10-6-4-7-11-21/h4-16,19,24H,17H2,1-3H3
InChIKeyCVMZUUAJZMBCDI-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylbutyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(1,3-diphenylbutyl)-2,4-dimethylbenzene (CID 3019812) is 1-(1,3-diphenylbutyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(1,3-diphenylbutyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(1,3-diphenylbutyl)-2,4-dimethylbenzene is Cc1ccc(C(CC(C)c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 1-(1,3-diphenylbutyl)-2,4-dimethylbenzene?
The InChIKey is CVMZUUAJZMBCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-18-14-15-23(20(3)16-18)24(22-12-8-5-9-13-22)17-19(2)21-10-6-4-7-11-21/h4-16,19,24H,17H2,1-3H3.
What are the key properties of 1-(1,3-diphenylbutyl)-2,4-dimethylbenzene?
1-(1,3-diphenylbutyl)-2,4-dimethylbenzene has a molecular weight of 314.47 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylbutyl)-2,4-dimethylbenzene is sourced from PubChem (CID 3019812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).