benzene;propylbenzene;toluene

C22H26 — CID 142060228

IUPACbenzene;propylbenzene;toluene
SMILESCCCc1ccccc1.Cc1ccccc1.c1ccccc1
InChIInChI=1S/C9H12.C7H8.C6H6/c1-2-6-9-7-4-3-5-8-9;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h3-5,7-8H,2,6H2,1H3;2-6H,1H3;1-6H
InChIKeyJNHARAUSUQLFAW-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.32
Rot. Bonds2

About benzene;propylbenzene;toluene

benzene;propylbenzene;toluene (PubChem CID 142060228) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is benzene;propylbenzene;toluene.

Molecular Properties

Compound Namebenzene;propylbenzene;toluene
PubChem CID142060228
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Namebenzene;propylbenzene;toluene
SMILESCCCc1ccccc1.Cc1ccccc1.c1ccccc1
InChIInChI=1S/C9H12.C7H8.C6H6/c1-2-6-9-7-4-3-5-8-9;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h3-5,7-8H,2,6H2,1H3;2-6H,1H3;1-6H
InChIKeyJNHARAUSUQLFAW-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze benzene;propylbenzene;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;methane;propane;propylbenzene;toluene
CID 160913723
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
4-propylphenol;toluene
CID 174488913
potassium;hydride;propylbenzene
CID 174749122
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
butylbenzene;propylbenzene
CID 142022125
lithium;ethyne;propylbenzene
CID 174833014
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679
ethane;ethylbenzene;propylbenzene
CID 153343160
1-bromopropane;propylbenzene
CID 158382353
ethane;ethylbenzene;propylbenzene
CID 144852867

Frequently Asked Questions

What is the IUPAC name of benzene;propylbenzene;toluene?
The IUPAC name of benzene;propylbenzene;toluene (CID 142060228) is benzene;propylbenzene;toluene.
What is the SMILES notation for benzene;propylbenzene;toluene?
The canonical SMILES for benzene;propylbenzene;toluene is CCCc1ccccc1.Cc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;propylbenzene;toluene?
The InChIKey is JNHARAUSUQLFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C7H8.C6H6/c1-2-6-9-7-4-3-5-8-9;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h3-5,7-8H,2,6H2,1H3;2-6H,1H3;1-6H.
What are the key properties of benzene;propylbenzene;toluene?
benzene;propylbenzene;toluene has a molecular weight of 290.45 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;propylbenzene;toluene is sourced from PubChem (CID 142060228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).