tris(1-chloro-3-methylbenzene);ethane

C25H33Cl3 — CID 143147725

IUPACtris(1-chloro-3-methylbenzene);ethane
SMILESCC.CC.Cc1cccc(Cl)c1.Cc1cccc(Cl)c1.Cc1cccc(Cl)c1
InChIInChI=1S/3C7H7Cl.2C2H6/c3*1-6-3-2-4-7(8)5-6;2*1-2/h3*2-5H,1H3;2*1-2H3
InChIKeyUWFBEEJEXUQZQH-UHFFFAOYSA-N
MW439.90 g/mol
LogP10.00
Rot. Bonds

About tris(1-chloro-3-methylbenzene);ethane

tris(1-chloro-3-methylbenzene);ethane (PubChem CID 143147725) has the molecular formula C25H33Cl3 and a molecular weight of 439.90 g/mol. Its IUPAC name is tris(1-chloro-3-methylbenzene);ethane.

Molecular Properties

Compound Nametris(1-chloro-3-methylbenzene);ethane
PubChem CID143147725
Molecular FormulaC25H33Cl3
Molecular Weight439.90 g/mol
Exact Mass438.16
IUPAC Nametris(1-chloro-3-methylbenzene);ethane
SMILESCC.CC.Cc1cccc(Cl)c1.Cc1cccc(Cl)c1.Cc1cccc(Cl)c1
InChIInChI=1S/3C7H7Cl.2C2H6/c3*1-6-3-2-4-7(8)5-6;2*1-2/h3*2-5H,1H3;2*1-2H3
InChIKeyUWFBEEJEXUQZQH-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.90
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-methylbenzene;ethane
CID 123907748
azanylidyneazanium;1-chloro-3-methylbenzene;chloride
CID 22991742
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
ethane;1,3-xylene
CID 54570178
ethane;methane;1,3-xylene
CID 145463381
1-[bromo-bis(3-methylphenyl)methyl]-3-chlorobenzene
CID 90697476
ethane;methanol;1,3-xylene
CID 156743127
ethane;1,3-xylene;1,4-xylene
CID 145425556
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-3-methylbenzene
CID 66040904
phosphane;tris(1,3-xylene)
CID 67351774
azane;1,3-dichlorobenzene
CID 67301049

Frequently Asked Questions

What is the IUPAC name of tris(1-chloro-3-methylbenzene);ethane?
The IUPAC name of tris(1-chloro-3-methylbenzene);ethane (CID 143147725) is tris(1-chloro-3-methylbenzene);ethane.
What is the SMILES notation for tris(1-chloro-3-methylbenzene);ethane?
The canonical SMILES for tris(1-chloro-3-methylbenzene);ethane is CC.CC.Cc1cccc(Cl)c1.Cc1cccc(Cl)c1.Cc1cccc(Cl)c1.
What is the InChIKey of tris(1-chloro-3-methylbenzene);ethane?
The InChIKey is UWFBEEJEXUQZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H7Cl.2C2H6/c3*1-6-3-2-4-7(8)5-6;2*1-2/h3*2-5H,1H3;2*1-2H3.
What are the key properties of tris(1-chloro-3-methylbenzene);ethane?
tris(1-chloro-3-methylbenzene);ethane has a molecular weight of 439.90 g/mol, XLogP of 10.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-chloro-3-methylbenzene);ethane is sourced from PubChem (CID 143147725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).