2-chloro-1,3,5-trimethylbenzene

C9H11Cl — CID 15462

IUPAC2-chloro-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChIKeyWDZACGWEPQLKOM-UHFFFAOYSA-N
MW154.64 g/mol
LogP3.27
Rot. Bonds

About 2-chloro-1,3,5-trimethylbenzene

2-chloro-1,3,5-trimethylbenzene (PubChem CID 15462) has the molecular formula C9H11Cl and a molecular weight of 154.64 g/mol. Its IUPAC name is 2-chloro-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-chloro-1,3,5-trimethylbenzene
PubChem CID15462
Molecular FormulaC9H11Cl
Molecular Weight154.64 g/mol
Exact Mass154.05
IUPAC Name2-chloro-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChIKeyWDZACGWEPQLKOM-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,5-trimethylbenzene?
The IUPAC name of 2-chloro-1,3,5-trimethylbenzene (CID 15462) is 2-chloro-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-chloro-1,3,5-trimethylbenzene?
The canonical SMILES for 2-chloro-1,3,5-trimethylbenzene is Cc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-chloro-1,3,5-trimethylbenzene?
The InChIKey is WDZACGWEPQLKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3.
What are the key properties of 2-chloro-1,3,5-trimethylbenzene?
2-chloro-1,3,5-trimethylbenzene has a molecular weight of 154.64 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,5-trimethylbenzene is sourced from PubChem (CID 15462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).