1,5-dichloro-2,3,4-trimethylbenzene

C9H10Cl2 — CID 21488192

IUPAC1,5-dichloro-2,3,4-trimethylbenzene
SMILESCc1c(Cl)cc(Cl)c(C)c1C
InChIInChI=1S/C9H10Cl2/c1-5-6(2)8(10)4-9(11)7(5)3/h4H,1-3H3
InChIKeyIURPGYHEBMCDGZ-UHFFFAOYSA-N
MW189.08 g/mol
LogP3.92
Rot. Bonds

About 1,5-dichloro-2,3,4-trimethylbenzene

1,5-dichloro-2,3,4-trimethylbenzene (PubChem CID 21488192) has the molecular formula C9H10Cl2 and a molecular weight of 189.08 g/mol. Its IUPAC name is 1,5-dichloro-2,3,4-trimethylbenzene.

Molecular Properties

Compound Name1,5-dichloro-2,3,4-trimethylbenzene
PubChem CID21488192
Molecular FormulaC9H10Cl2
Molecular Weight189.08 g/mol
Exact Mass188.02
IUPAC Name1,5-dichloro-2,3,4-trimethylbenzene
SMILESCc1c(Cl)cc(Cl)c(C)c1C
InChIInChI=1S/C9H10Cl2/c1-5-6(2)8(10)4-9(11)7(5)3/h4H,1-3H3
InChIKeyIURPGYHEBMCDGZ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.08
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2,3,4-trimethylbenzene?
The IUPAC name of 1,5-dichloro-2,3,4-trimethylbenzene (CID 21488192) is 1,5-dichloro-2,3,4-trimethylbenzene.
What is the SMILES notation for 1,5-dichloro-2,3,4-trimethylbenzene?
The canonical SMILES for 1,5-dichloro-2,3,4-trimethylbenzene is Cc1c(Cl)cc(Cl)c(C)c1C.
What is the InChIKey of 1,5-dichloro-2,3,4-trimethylbenzene?
The InChIKey is IURPGYHEBMCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2/c1-5-6(2)8(10)4-9(11)7(5)3/h4H,1-3H3.
What are the key properties of 1,5-dichloro-2,3,4-trimethylbenzene?
1,5-dichloro-2,3,4-trimethylbenzene has a molecular weight of 189.08 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2,3,4-trimethylbenzene is sourced from PubChem (CID 21488192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).