1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene

C11H15ClO2 — CID 10420813

IUPAC1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene
SMILESCOc1c(C)c(C)c(OC)c(Cl)c1C
InChIInChI=1S/C11H15ClO2/c1-6-7(2)11(14-5)9(12)8(3)10(6)13-4/h1-5H3
InChIKeyMGRHCRPVYJBNKY-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.28
Rot. Bonds2

About 1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene

1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene (PubChem CID 10420813) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene.

Molecular Properties

Compound Name1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene
PubChem CID10420813
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene
SMILESCOc1c(C)c(C)c(OC)c(Cl)c1C
InChIInChI=1S/C11H15ClO2/c1-6-7(2)11(14-5)9(12)8(3)10(6)13-4/h1-5H3
InChIKeyMGRHCRPVYJBNKY-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene?
The IUPAC name of 1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene (CID 10420813) is 1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene.
What is the SMILES notation for 1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene?
The canonical SMILES for 1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene is COc1c(C)c(C)c(OC)c(Cl)c1C.
What is the InChIKey of 1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene?
The InChIKey is MGRHCRPVYJBNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-6-7(2)11(14-5)9(12)8(3)10(6)13-4/h1-5H3.
What are the key properties of 1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene?
1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene has a molecular weight of 214.69 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,5-dimethoxy-3,4,6-trimethylbenzene is sourced from PubChem (CID 10420813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).