2-bromo-4-methoxy-1,3,5-trimethylbenzene

C10H13BrO — CID 21475655

IUPAC2-bromo-4-methoxy-1,3,5-trimethylbenzene
SMILESCOc1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C10H13BrO/c1-6-5-7(2)10(12-4)8(3)9(6)11/h5H,1-4H3
InChIKeyKFNCSBGSEZLHDK-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.38
Rot. Bonds1

About 2-bromo-4-methoxy-1,3,5-trimethylbenzene

2-bromo-4-methoxy-1,3,5-trimethylbenzene (PubChem CID 21475655) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-bromo-4-methoxy-1,3,5-trimethylbenzene
PubChem CID21475655
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name2-bromo-4-methoxy-1,3,5-trimethylbenzene
SMILESCOc1c(C)cc(C)c(Br)c1C
InChIInChI=1S/C10H13BrO/c1-6-5-7(2)10(12-4)8(3)9(6)11/h5H,1-4H3
InChIKeyKFNCSBGSEZLHDK-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-1,3,5-trimethylbenzene?
The IUPAC name of 2-bromo-4-methoxy-1,3,5-trimethylbenzene (CID 21475655) is 2-bromo-4-methoxy-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-bromo-4-methoxy-1,3,5-trimethylbenzene?
The canonical SMILES for 2-bromo-4-methoxy-1,3,5-trimethylbenzene is COc1c(C)cc(C)c(Br)c1C.
What is the InChIKey of 2-bromo-4-methoxy-1,3,5-trimethylbenzene?
The InChIKey is KFNCSBGSEZLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-6-5-7(2)10(12-4)8(3)9(6)11/h5H,1-4H3.
What are the key properties of 2-bromo-4-methoxy-1,3,5-trimethylbenzene?
2-bromo-4-methoxy-1,3,5-trimethylbenzene has a molecular weight of 229.12 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-1,3,5-trimethylbenzene is sourced from PubChem (CID 21475655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).