1,5-dichloro-2,4-dimethoxy-3-methylbenzene

C9H10Cl2O2 — CID 58961638

IUPAC1,5-dichloro-2,4-dimethoxy-3-methylbenzene
SMILESCOc1c(Cl)cc(Cl)c(OC)c1C
InChIInChI=1S/C9H10Cl2O2/c1-5-8(12-2)6(10)4-7(11)9(5)13-3/h4H,1-3H3
InChIKeyLDBYZOKQADEPPA-UHFFFAOYSA-N
MW221.08 g/mol
LogP3.32
Rot. Bonds2

About 1,5-dichloro-2,4-dimethoxy-3-methylbenzene

1,5-dichloro-2,4-dimethoxy-3-methylbenzene (PubChem CID 58961638) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 1,5-dichloro-2,4-dimethoxy-3-methylbenzene.

Molecular Properties

Compound Name1,5-dichloro-2,4-dimethoxy-3-methylbenzene
PubChem CID58961638
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name1,5-dichloro-2,4-dimethoxy-3-methylbenzene
SMILESCOc1c(Cl)cc(Cl)c(OC)c1C
InChIInChI=1S/C9H10Cl2O2/c1-5-8(12-2)6(10)4-7(11)9(5)13-3/h4H,1-3H3
InChIKeyLDBYZOKQADEPPA-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-oxoacetic acid
CID 117400181
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173
2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
CID 117403289
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
tris(2,3,5-trichloro-6-methoxyphenyl)borane
CID 87743306
4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
CID 84711447
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2,4-dimethoxy-3-methylbenzene?
The IUPAC name of 1,5-dichloro-2,4-dimethoxy-3-methylbenzene (CID 58961638) is 1,5-dichloro-2,4-dimethoxy-3-methylbenzene.
What is the SMILES notation for 1,5-dichloro-2,4-dimethoxy-3-methylbenzene?
The canonical SMILES for 1,5-dichloro-2,4-dimethoxy-3-methylbenzene is COc1c(Cl)cc(Cl)c(OC)c1C.
What is the InChIKey of 1,5-dichloro-2,4-dimethoxy-3-methylbenzene?
The InChIKey is LDBYZOKQADEPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-5-8(12-2)6(10)4-7(11)9(5)13-3/h4H,1-3H3.
What are the key properties of 1,5-dichloro-2,4-dimethoxy-3-methylbenzene?
1,5-dichloro-2,4-dimethoxy-3-methylbenzene has a molecular weight of 221.08 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2,4-dimethoxy-3-methylbenzene is sourced from PubChem (CID 58961638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).