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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Related Compounds

3,5-Dimethyl-2,4,6-trichloroanisole
CID 617275
1-Chloro-3-fluoro-2,4-dimethyl-6-phenylmethoxy-5-prop-1-en-2-ylbenzene
CID 91415621
4-Chloro-3-methoxy-1,2-dimethyl-5-(trifluoromethyl)benzene
CID 156160468
2,4-Dichloro-3,5-dimethyl-phenetole
CID 129653845
5-Chloro-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene
CID 135040860
4-Chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene
CID 83937874
2-Chloro-4-(3-fluoropropyl)-1,3-dimethyl-5-propoxybenzene
CID 83937998
1-Chloro-4-ethoxy-3-(3-fluoropropyl)-2,5-dimethylbenzene
CID 83940600
1-Chloro-3-(3-fluoropropyl)-2,5-dimethyl-4-propoxybenzene
CID 83940724
1-Chloro-3-(1,1-difluoropropyl)-4-methoxy-2,5,6-trimethylbenzene
CID 116841346
3-(3,5-Dichloro-2-methoxy-4,6-dimethylphenyl)prop-2-ynoic acid
CID 293217
2-[(2-Chloro-3,4,5,6-tetramethylphenoxy)methyl]oxirane
CID 21350003

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).