1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene

C15H14BrFO3 — CID 107087773

IUPAC1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(Oc2ccc(CBr)cc2F)c1
InChIInChI=1S/C15H14BrFO3/c1-18-11-6-12(19-2)8-13(7-11)20-15-4-3-10(9-16)5-14(15)17/h3-8H,9H2,1-2H3
InChIKeyUZBTWSQYUMFIBS-UHFFFAOYSA-N
MW341.18 g/mol
LogP4.53
Rot. Bonds5

About 1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene

1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene (PubChem CID 107087773) has the molecular formula C15H14BrFO3 and a molecular weight of 341.18 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
PubChem CID107087773
Molecular FormulaC15H14BrFO3
Molecular Weight341.18 g/mol
Exact Mass340.01
IUPAC Name1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(Oc2ccc(CBr)cc2F)c1
InChIInChI=1S/C15H14BrFO3/c1-18-11-6-12(19-2)8-13(7-11)20-15-4-3-10(9-16)5-14(15)17/h3-8H,9H2,1-2H3
InChIKeyUZBTWSQYUMFIBS-UHFFFAOYSA-N
XLogP4.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
3-[4-(bromomethyl)-2-fluorophenoxy]-5-methoxybenzonitrile
CID 107089456
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethylbenzene
CID 107087006
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633
4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
CID 107086895
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
CID 107087025
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
CID 107089080
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
CID 107087281
4-(bromomethyl)-2-fluoro-1-(3-fluoro-4-nitrophenoxy)benzene
CID 107088215

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene?
The IUPAC name of 1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene (CID 107087773) is 1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene is COc1cc(OC)cc(Oc2ccc(CBr)cc2F)c1.
What is the InChIKey of 1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene?
The InChIKey is UZBTWSQYUMFIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO3/c1-18-11-6-12(19-2)8-13(7-11)20-15-4-3-10(9-16)5-14(15)17/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene?
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene has a molecular weight of 341.18 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene is sourced from PubChem (CID 107087773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).