1-chloro-4,5-dimethoxy-2-methylbenzene

C9H11ClO2 — CID 14340353

IUPAC1-chloro-4,5-dimethoxy-2-methylbenzene
SMILESCOc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C9H11ClO2/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,1-3H3
InChIKeyMBZFYMRYMWIFDJ-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.67
Rot. Bonds2

About 1-chloro-4,5-dimethoxy-2-methylbenzene

1-chloro-4,5-dimethoxy-2-methylbenzene (PubChem CID 14340353) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-chloro-4,5-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-4,5-dimethoxy-2-methylbenzene
PubChem CID14340353
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name1-chloro-4,5-dimethoxy-2-methylbenzene
SMILESCOc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C9H11ClO2/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,1-3H3
InChIKeyMBZFYMRYMWIFDJ-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,5-dimethoxy-2-methylbenzene?
The IUPAC name of 1-chloro-4,5-dimethoxy-2-methylbenzene (CID 14340353) is 1-chloro-4,5-dimethoxy-2-methylbenzene.
What is the SMILES notation for 1-chloro-4,5-dimethoxy-2-methylbenzene?
The canonical SMILES for 1-chloro-4,5-dimethoxy-2-methylbenzene is COc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 1-chloro-4,5-dimethoxy-2-methylbenzene?
The InChIKey is MBZFYMRYMWIFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,1-3H3.
What are the key properties of 1-chloro-4,5-dimethoxy-2-methylbenzene?
1-chloro-4,5-dimethoxy-2-methylbenzene has a molecular weight of 186.64 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,5-dimethoxy-2-methylbenzene is sourced from PubChem (CID 14340353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).