1,2-bis(4-methylphenyl)-3-propylbenzene

C23H24 — CID 173306063

IUPAC1,2-bis(4-methylphenyl)-3-propylbenzene
SMILESCCCc1cccc(-c2ccc(C)cc2)c1-c1ccc(C)cc1
InChIInChI=1S/C23H24/c1-4-6-20-7-5-8-22(19-13-9-17(2)10-14-19)23(20)21-15-11-18(3)12-16-21/h5,7-16H,4,6H2,1-3H3
InChIKeyQJBLHODZAGIYQT-UHFFFAOYSA-N
MW300.45 g/mol
LogP6.59
Rot. Bonds4

About 1,2-bis(4-methylphenyl)-3-propylbenzene

1,2-bis(4-methylphenyl)-3-propylbenzene (PubChem CID 173306063) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1,2-bis(4-methylphenyl)-3-propylbenzene.

Molecular Properties

Compound Name1,2-bis(4-methylphenyl)-3-propylbenzene
PubChem CID173306063
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name1,2-bis(4-methylphenyl)-3-propylbenzene
SMILESCCCc1cccc(-c2ccc(C)cc2)c1-c1ccc(C)cc1
InChIInChI=1S/C23H24/c1-4-6-20-7-5-8-22(19-13-9-17(2)10-14-19)23(20)21-15-11-18(3)12-16-21/h5,7-16H,4,6H2,1-3H3
InChIKeyQJBLHODZAGIYQT-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methylphenyl)-3-propylbenzene?
The IUPAC name of 1,2-bis(4-methylphenyl)-3-propylbenzene (CID 173306063) is 1,2-bis(4-methylphenyl)-3-propylbenzene.
What is the SMILES notation for 1,2-bis(4-methylphenyl)-3-propylbenzene?
The canonical SMILES for 1,2-bis(4-methylphenyl)-3-propylbenzene is CCCc1cccc(-c2ccc(C)cc2)c1-c1ccc(C)cc1.
What is the InChIKey of 1,2-bis(4-methylphenyl)-3-propylbenzene?
The InChIKey is QJBLHODZAGIYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-4-6-20-7-5-8-22(19-13-9-17(2)10-14-19)23(20)21-15-11-18(3)12-16-21/h5,7-16H,4,6H2,1-3H3.
What are the key properties of 1,2-bis(4-methylphenyl)-3-propylbenzene?
1,2-bis(4-methylphenyl)-3-propylbenzene has a molecular weight of 300.45 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methylphenyl)-3-propylbenzene is sourced from PubChem (CID 173306063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).