1,3-bis(4-methylphenyl)benzene

C20H18 — CID 4248146

IUPAC1,3-bis(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C20H18/c1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18/h3-14H,1-2H3
InChIKeyIJSRIMSZPSHKCB-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.64
Rot. Bonds2

About 1,3-bis(4-methylphenyl)benzene

1,3-bis(4-methylphenyl)benzene (PubChem CID 4248146) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)benzene.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)benzene
PubChem CID4248146
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name1,3-bis(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C20H18/c1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18/h3-14H,1-2H3
InChIKeyIJSRIMSZPSHKCB-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1,2,4-Trimethylbenzene
CID 7247
BENZ(a)ANTHRACENE
CID 5954
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
M-Terphenyl
CID 7076
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)benzene?
The IUPAC name of 1,3-bis(4-methylphenyl)benzene (CID 4248146) is 1,3-bis(4-methylphenyl)benzene.
What is the SMILES notation for 1,3-bis(4-methylphenyl)benzene?
The canonical SMILES for 1,3-bis(4-methylphenyl)benzene is Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)benzene?
The InChIKey is IJSRIMSZPSHKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18/h3-14H,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)benzene?
1,3-bis(4-methylphenyl)benzene has a molecular weight of 258.36 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)benzene is sourced from PubChem (CID 4248146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).