1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene

C15H14BrFO2 — CID 114065514

IUPAC1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1Oc1cccc(F)c1CBr
InChIInChI=1S/C15H14BrFO2/c1-10-6-7-14(15(8-10)18-2)19-13-5-3-4-12(17)11(13)9-16/h3-8H,9H2,1-2H3
InChIKeyRTQJRQAPYMMTSR-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.83
Rot. Bonds4

About 1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene

1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene (PubChem CID 114065514) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene
PubChem CID114065514
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1Oc1cccc(F)c1CBr
InChIInChI=1S/C15H14BrFO2/c1-10-6-7-14(15(8-10)18-2)19-13-5-3-4-12(17)11(13)9-16/h3-8H,9H2,1-2H3
InChIKeyRTQJRQAPYMMTSR-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-fluoro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506269
2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 79517129
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565
2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine
CID 141092576
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine
CID 63815045
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 114846903
2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine
CID 59191403
5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
CID 63075510

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene?
The IUPAC name of 1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene (CID 114065514) is 1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene is COc1cc(C)ccc1Oc1cccc(F)c1CBr.
What is the InChIKey of 1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene?
The InChIKey is RTQJRQAPYMMTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-10-6-7-14(15(8-10)18-2)19-13-5-3-4-12(17)11(13)9-16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene?
1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene has a molecular weight of 325.18 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene is sourced from PubChem (CID 114065514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).