1,4-bis(4-methylphenyl)-2,5-dipropylbenzene

C26H30 — CID 59821666

IUPAC1,4-bis(4-methylphenyl)-2,5-dipropylbenzene
SMILESCCCc1cc(-c2ccc(C)cc2)c(CCC)cc1-c1ccc(C)cc1
InChIInChI=1S/C26H30/c1-5-7-23-17-26(22-15-11-20(4)12-16-22)24(8-6-2)18-25(23)21-13-9-19(3)10-14-21/h9-18H,5-8H2,1-4H3
InChIKeyVJGAIDAORFCMJM-UHFFFAOYSA-N
MW342.53 g/mol
LogP7.54
Rot. Bonds6

About 1,4-bis(4-methylphenyl)-2,5-dipropylbenzene

1,4-bis(4-methylphenyl)-2,5-dipropylbenzene (PubChem CID 59821666) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)-2,5-dipropylbenzene.

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)-2,5-dipropylbenzene
PubChem CID59821666
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1,4-bis(4-methylphenyl)-2,5-dipropylbenzene
SMILESCCCc1cc(-c2ccc(C)cc2)c(CCC)cc1-c1ccc(C)cc1
InChIInChI=1S/C26H30/c1-5-7-23-17-26(22-15-11-20(4)12-16-22)24(8-6-2)18-25(23)21-13-9-19(3)10-14-21/h9-18H,5-8H2,1-4H3
InChIKeyVJGAIDAORFCMJM-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)-2,5-dipropylbenzene?
The IUPAC name of 1,4-bis(4-methylphenyl)-2,5-dipropylbenzene (CID 59821666) is 1,4-bis(4-methylphenyl)-2,5-dipropylbenzene.
What is the SMILES notation for 1,4-bis(4-methylphenyl)-2,5-dipropylbenzene?
The canonical SMILES for 1,4-bis(4-methylphenyl)-2,5-dipropylbenzene is CCCc1cc(-c2ccc(C)cc2)c(CCC)cc1-c1ccc(C)cc1.
What is the InChIKey of 1,4-bis(4-methylphenyl)-2,5-dipropylbenzene?
The InChIKey is VJGAIDAORFCMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-5-7-23-17-26(22-15-11-20(4)12-16-22)24(8-6-2)18-25(23)21-13-9-19(3)10-14-21/h9-18H,5-8H2,1-4H3.
What are the key properties of 1,4-bis(4-methylphenyl)-2,5-dipropylbenzene?
1,4-bis(4-methylphenyl)-2,5-dipropylbenzene has a molecular weight of 342.53 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)-2,5-dipropylbenzene is sourced from PubChem (CID 59821666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).