1-bromo-4-methoxy-2,3-dimethylbenzene

C9H11BrO — CID 2752599

IUPAC1-bromo-4-methoxy-2,3-dimethylbenzene
SMILESCOc1ccc(Br)c(C)c1C
InChIInChI=1S/C9H11BrO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,1-3H3
InChIKeyWOWNZZYJCUUIFC-UHFFFAOYSA-N
MW215.09 g/mol
LogP3.07
Rot. Bonds1

About 1-bromo-4-methoxy-2,3-dimethylbenzene

1-bromo-4-methoxy-2,3-dimethylbenzene (PubChem CID 2752599) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-4-methoxy-2,3-dimethylbenzene
PubChem CID2752599
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name1-bromo-4-methoxy-2,3-dimethylbenzene
SMILESCOc1ccc(Br)c(C)c1C
InChIInChI=1S/C9H11BrO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,1-3H3
InChIKeyWOWNZZYJCUUIFC-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2,3-dimethylbenzene?
The IUPAC name of 1-bromo-4-methoxy-2,3-dimethylbenzene (CID 2752599) is 1-bromo-4-methoxy-2,3-dimethylbenzene.
What is the SMILES notation for 1-bromo-4-methoxy-2,3-dimethylbenzene?
The canonical SMILES for 1-bromo-4-methoxy-2,3-dimethylbenzene is COc1ccc(Br)c(C)c1C.
What is the InChIKey of 1-bromo-4-methoxy-2,3-dimethylbenzene?
The InChIKey is WOWNZZYJCUUIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-6-7(2)9(11-3)5-4-8(6)10/h4-5H,1-3H3.
What are the key properties of 1-bromo-4-methoxy-2,3-dimethylbenzene?
1-bromo-4-methoxy-2,3-dimethylbenzene has a molecular weight of 215.09 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxy-2,3-dimethylbenzene is sourced from PubChem (CID 2752599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).