chlorobenzene;1,3,5-trimethylbenzene

C15H17Cl — CID 160520225

IUPACchlorobenzene;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.Clc1ccccc1
InChIInChI=1S/C9H12.C6H5Cl/c1-7-4-8(2)6-9(3)5-7;7-6-4-2-1-3-5-6/h4-6H,1-3H3;1-5H
InChIKeyQUEFAAGGLBXBHW-UHFFFAOYSA-N
MW232.75 g/mol
LogP4.95
Rot. Bonds

About chlorobenzene;1,3,5-trimethylbenzene

chlorobenzene;1,3,5-trimethylbenzene (PubChem CID 160520225) has the molecular formula C15H17Cl and a molecular weight of 232.75 g/mol. Its IUPAC name is chlorobenzene;1,3,5-trimethylbenzene.

Molecular Properties

Compound Namechlorobenzene;1,3,5-trimethylbenzene
PubChem CID160520225
Molecular FormulaC15H17Cl
Molecular Weight232.75 g/mol
Exact Mass232.10
IUPAC Namechlorobenzene;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.Clc1ccccc1
InChIInChI=1S/C9H12.C6H5Cl/c1-7-4-8(2)6-9(3)5-7;7-6-4-2-1-3-5-6/h4-6H,1-3H3;1-5H
InChIKeyQUEFAAGGLBXBHW-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;chlorobenzene
CID 159657667
chlorobenzene;propane;toluene
CID 145259761
1,3-dichloro-5-methylbenzene;toluene
CID 143933195
chlorobenzene;methanol
CID 20549646
1-chloro-3,5-dimethylbenzene;phenol
CID 158089638
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973
1-chloro-4-methylbenzene;ethane;toluene
CID 159482529
sodium;chlorobenzene;hydride
CID 173115235
magnesium;chlorobenzene;chloride
CID 22400294
chlorobenzene;hydrazine
CID 69403092

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1,3,5-trimethylbenzene?
The IUPAC name of chlorobenzene;1,3,5-trimethylbenzene (CID 160520225) is chlorobenzene;1,3,5-trimethylbenzene.
What is the SMILES notation for chlorobenzene;1,3,5-trimethylbenzene?
The canonical SMILES for chlorobenzene;1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;1,3,5-trimethylbenzene?
The InChIKey is QUEFAAGGLBXBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H5Cl/c1-7-4-8(2)6-9(3)5-7;7-6-4-2-1-3-5-6/h4-6H,1-3H3;1-5H.
What are the key properties of chlorobenzene;1,3,5-trimethylbenzene?
chlorobenzene;1,3,5-trimethylbenzene has a molecular weight of 232.75 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;1,3,5-trimethylbenzene is sourced from PubChem (CID 160520225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).