1,1'-biphenyl;toluene

C19H18 — CID 18366440

IUPAC1,1'-biphenyl;toluene
SMILESCc1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H8/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-5-3-2-4-6-7/h1-10H;2-6H,1H3
InChIKeyLAYALBJVNVDQGR-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.35
Rot. Bonds1

About 1,1'-biphenyl;toluene

1,1'-biphenyl;toluene (PubChem CID 18366440) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,1'-biphenyl;toluene.

Molecular Properties

Compound Name1,1'-biphenyl;toluene
PubChem CID18366440
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name1,1'-biphenyl;toluene
SMILESCc1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H8/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-5-3-2-4-6-7/h1-10H;2-6H,1H3
InChIKeyLAYALBJVNVDQGR-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
bis(1,1'-biphenyl);ethane;naphthalene;toluene
CID 159439473
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;toluene?
The IUPAC name of 1,1'-biphenyl;toluene (CID 18366440) is 1,1'-biphenyl;toluene.
What is the SMILES notation for 1,1'-biphenyl;toluene?
The canonical SMILES for 1,1'-biphenyl;toluene is Cc1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;toluene?
The InChIKey is LAYALBJVNVDQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C7H8/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-5-3-2-4-6-7/h1-10H;2-6H,1H3.
What are the key properties of 1,1'-biphenyl;toluene?
1,1'-biphenyl;toluene has a molecular weight of 246.35 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;toluene is sourced from PubChem (CID 18366440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).