1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene

C9H10BrFO2 — CID 130714606

IUPAC1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene
SMILESCOCOc1c(Br)ccc(C)c1F
InChIInChI=1S/C9H10BrFO2/c1-6-3-4-7(10)9(8(6)11)13-5-12-2/h3-4H,5H2,1-2H3
InChIKeyFYACAXLHSLOIFS-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.88
Rot. Bonds3

About 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene

1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene (PubChem CID 130714606) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene
PubChem CID130714606
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene
SMILESCOCOc1c(Br)ccc(C)c1F
InChIInChI=1S/C9H10BrFO2/c1-6-3-4-7(10)9(8(6)11)13-5-12-2/h3-4H,5H2,1-2H3
InChIKeyFYACAXLHSLOIFS-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583
1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene
CID 164892587
3-bromo-6-methoxy-2-(methoxymethoxy)phenol
CID 67466846
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
(6-bromo-2-fluoro-3-methylphenyl) acetate
CID 130643220
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
1-bromo-3-(bromomethyl)-2-(methoxymethoxy)benzene
CID 65364520
1,3-dibromo-2,5-bis(methoxymethoxy)benzene
CID 21364580
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
CID 142560015
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
3,5-difluoro-4-(methoxymethoxy)aniline
CID 68615412

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene?
The IUPAC name of 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene (CID 130714606) is 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene.
What is the SMILES notation for 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene?
The canonical SMILES for 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene is COCOc1c(Br)ccc(C)c1F.
What is the InChIKey of 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene?
The InChIKey is FYACAXLHSLOIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-6-3-4-7(10)9(8(6)11)13-5-12-2/h3-4H,5H2,1-2H3.
What are the key properties of 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene?
1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene has a molecular weight of 249.08 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene is sourced from PubChem (CID 130714606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).