1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride

C13H19Cl3O — CID 170894141

IUPAC1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride
SMILESCCCc1c(C)c(Cl)c(C)c(Cl)c1OCC.Cl
InChIInChI=1S/C13H18Cl2O.ClH/c1-5-7-10-8(3)11(14)9(4)12(15)13(10)16-6-2;/h5-7H2,1-4H3;1H
InChIKeyFYGDMRIYOXOTOM-UHFFFAOYSA-N
MW297.65 g/mol
LogP5.38
Rot. Bonds4

About 1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride

1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride (PubChem CID 170894141) has the molecular formula C13H19Cl3O and a molecular weight of 297.65 g/mol. Its IUPAC name is 1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride.

Molecular Properties

Compound Name1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride
PubChem CID170894141
Molecular FormulaC13H19Cl3O
Molecular Weight297.65 g/mol
Exact Mass296.05
IUPAC Name1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride
SMILESCCCc1c(C)c(Cl)c(C)c(Cl)c1OCC.Cl
InChIInChI=1S/C13H18Cl2O.ClH/c1-5-7-10-8(3)11(14)9(4)12(15)13(10)16-6-2;/h5-7H2,1-4H3;1H
InChIKeyFYGDMRIYOXOTOM-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.65
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride?
The IUPAC name of 1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride (CID 170894141) is 1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride.
What is the SMILES notation for 1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride?
The canonical SMILES for 1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride is CCCc1c(C)c(Cl)c(C)c(Cl)c1OCC.Cl.
What is the InChIKey of 1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride?
The InChIKey is FYGDMRIYOXOTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O.ClH/c1-5-7-10-8(3)11(14)9(4)12(15)13(10)16-6-2;/h5-7H2,1-4H3;1H.
What are the key properties of 1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride?
1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride has a molecular weight of 297.65 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-ethoxy-4,6-dimethyl-3-propylbenzene;hydrochloride is sourced from PubChem (CID 170894141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).