benzene;toluene

C32H34 — CID 158487474

IUPACbenzene;toluene
SMILESCc1ccccc1.Cc1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C7H8.3C6H6/c2*1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1/h2*2-6H,1H3;3*1-6H
InChIKeyHIGUGZFMVWUYTR-UHFFFAOYSA-N
MW418.62 g/mol
LogP9.05
Rot. Bonds

About benzene;toluene

benzene;toluene (PubChem CID 158487474) has the molecular formula C32H34 and a molecular weight of 418.62 g/mol. Its IUPAC name is benzene;toluene.

Molecular Properties

Compound Namebenzene;toluene
PubChem CID158487474
Molecular FormulaC32H34
Molecular Weight418.62 g/mol
Exact Mass418.27
IUPAC Namebenzene;toluene
SMILESCc1ccccc1.Cc1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C7H8.3C6H6/c2*1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1/h2*2-6H,1H3;3*1-6H
InChIKeyHIGUGZFMVWUYTR-UHFFFAOYSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
iridium;toluene
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toluene;dihydrochloride
CID 66712893
ethane;toluene
CID 91350799
toluene;hydrate
CID 22272177
toluene;tetrahydrochloride
CID 174345064
aluminum toluene
CID 21283935
gold;toluene
CID 159315944
bismuthane;toluene
CID 173370039
benzene;ethane;toluene
CID 158929596
germane;toluene
CID 174411556

Frequently Asked Questions

What is the IUPAC name of benzene;toluene?
The IUPAC name of benzene;toluene (CID 158487474) is benzene;toluene.
What is the SMILES notation for benzene;toluene?
The canonical SMILES for benzene;toluene is Cc1ccccc1.Cc1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;toluene?
The InChIKey is HIGUGZFMVWUYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.3C6H6/c2*1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1/h2*2-6H,1H3;3*1-6H.
What are the key properties of benzene;toluene?
benzene;toluene has a molecular weight of 418.62 g/mol, XLogP of 9.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;toluene is sourced from PubChem (CID 158487474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).