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

C10H13BrO — CID 11557666

IUPAC1-bromo-4-methoxy-2,3,5-trimethylbenzene
SMILESCOc1c(C)cc(Br)c(C)c1C
InChIInChI=1S/C10H13BrO/c1-6-5-9(11)7(2)8(3)10(6)12-4/h5H,1-4H3
InChIKeyDVMARCGMLVDXLV-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.38
Rot. Bonds1

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

1-bromo-4-methoxy-2,3,5-trimethylbenzene (PubChem CID 11557666) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-bromo-4-methoxy-2,3,5-trimethylbenzene
PubChem CID11557666
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name1-bromo-4-methoxy-2,3,5-trimethylbenzene
SMILESCOc1c(C)cc(Br)c(C)c1C
InChIInChI=1S/C10H13BrO/c1-6-5-9(11)7(2)8(3)10(6)12-4/h5H,1-4H3
InChIKeyDVMARCGMLVDXLV-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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Related Compounds

1-Bromo-4-methoxy-2-methylbenzene
CID 117915
1-Bromo-4-methoxynaphthalene
CID 138521
2-Bromo-5-methoxy-1,3-dimethylbenzene
CID 235992
2,3,5-Trimethylanisole
CID 88555
3-Methoxy-1,2,4,5-tetramethylbenzene
CID 278664
5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene
CID 641270
4-Bromo-2,6-dimethylanisole
CID 278654
4-Bromo-1-methoxy-2-methylbenzene
CID 608315
1-Bromo-4-methoxy-2,5-dimethylbenzene
CID 2752598
4-Bromo-2,3-dimethylanisole
CID 2752599
2-Bromo-1-(bromomethyl)-5-methoxy-3-methylbenzene
CID 10266426
Benzene, 5-bromo-2-(methoxymethoxy)-1,3-dimethyl-
CID 116775

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2,3,5-trimethylbenzene?
The IUPAC name of 1-bromo-4-methoxy-2,3,5-trimethylbenzene (CID 11557666) is 1-bromo-4-methoxy-2,3,5-trimethylbenzene.
What is the SMILES notation for 1-bromo-4-methoxy-2,3,5-trimethylbenzene?
The canonical SMILES for 1-bromo-4-methoxy-2,3,5-trimethylbenzene is COc1c(C)cc(Br)c(C)c1C.
What is the InChIKey of 1-bromo-4-methoxy-2,3,5-trimethylbenzene?
The InChIKey is DVMARCGMLVDXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-6-5-9(11)7(2)8(3)10(6)12-4/h5H,1-4H3.
What are the key properties of 1-bromo-4-methoxy-2,3,5-trimethylbenzene?
1-bromo-4-methoxy-2,3,5-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 1-bromo-4-methoxy-2,3,5-trimethylbenzene is sourced from PubChem (CID 11557666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).