ethane;1-methyl-4-phenylbenzene;toluene

C26H38 — CID 157456524

IUPACethane;1-methyl-4-phenylbenzene;toluene
SMILESCC.CC.CC.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1
InChIInChI=1S/C13H12.C7H8.3C2H6/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;3*1-2/h2-10H,1H3;2-6H,1H3;3*1-2H3
InChIKeyBTKNJDULNQWKJM-UHFFFAOYSA-N
MW350.59 g/mol
LogP8.74
Rot. Bonds1

About ethane;1-methyl-4-phenylbenzene;toluene

ethane;1-methyl-4-phenylbenzene;toluene (PubChem CID 157456524) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is ethane;1-methyl-4-phenylbenzene;toluene.

Molecular Properties

Compound Nameethane;1-methyl-4-phenylbenzene;toluene
PubChem CID157456524
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Nameethane;1-methyl-4-phenylbenzene;toluene
SMILESCC.CC.CC.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1
InChIInChI=1S/C13H12.C7H8.3C2H6/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;3*1-2/h2-10H,1H3;2-6H,1H3;3*1-2H3
InChIKeyBTKNJDULNQWKJM-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
1,1'-biphenyl;toluene
CID 18366440
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
bis(1,1'-biphenyl);ethane;naphthalene;toluene
CID 159439473
ethane;toluene
CID 91350799
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;ethane;toluene
CID 158929596
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-phenylbenzene;toluene?
The IUPAC name of ethane;1-methyl-4-phenylbenzene;toluene (CID 157456524) is ethane;1-methyl-4-phenylbenzene;toluene.
What is the SMILES notation for ethane;1-methyl-4-phenylbenzene;toluene?
The canonical SMILES for ethane;1-methyl-4-phenylbenzene;toluene is CC.CC.CC.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1.
What is the InChIKey of ethane;1-methyl-4-phenylbenzene;toluene?
The InChIKey is BTKNJDULNQWKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C7H8.3C2H6/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;3*1-2/h2-10H,1H3;2-6H,1H3;3*1-2H3.
What are the key properties of ethane;1-methyl-4-phenylbenzene;toluene?
ethane;1-methyl-4-phenylbenzene;toluene has a molecular weight of 350.59 g/mol, XLogP of 8.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-phenylbenzene;toluene is sourced from PubChem (CID 157456524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).