4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene

C14H12BrFO2 — CID 107087234

IUPAC4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
SMILESCOc1ccc(Oc2ccc(CBr)cc2F)cc1
InChIInChI=1S/C14H12BrFO2/c1-17-11-3-5-12(6-4-11)18-14-7-2-10(9-15)8-13(14)16/h2-8H,9H2,1H3
InChIKeyGCDVFKFUWCTHCU-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.52
Rot. Bonds4

About 4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene

4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene (PubChem CID 107087234) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
PubChem CID107087234
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
SMILESCOc1ccc(Oc2ccc(CBr)cc2F)cc1
InChIInChI=1S/C14H12BrFO2/c1-17-11-3-5-12(6-4-11)18-14-7-2-10(9-15)8-13(14)16/h2-8H,9H2,1H3
InChIKeyGCDVFKFUWCTHCU-UHFFFAOYSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.52
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-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
CID 107087773
4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
CID 107086895
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012
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
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
CID 107089080
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
CID 107087025
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene?
The IUPAC name of 4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene (CID 107087234) is 4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene is COc1ccc(Oc2ccc(CBr)cc2F)cc1.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene?
The InChIKey is GCDVFKFUWCTHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2/c1-17-11-3-5-12(6-4-11)18-14-7-2-10(9-15)8-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene?
4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene has a molecular weight of 311.15 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene is sourced from PubChem (CID 107087234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).