4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene

C15H14BrFO2 — CID 107691631

IUPAC4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(CBr)cc2F)cc1
InChIInChI=1S/C15H14BrFO2/c1-18-13-5-2-11(3-6-13)10-19-15-7-4-12(9-16)8-14(15)17/h2-8H,9-10H2,1H3
InChIKeyHOBMRZVYECAJAH-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.31
Rot. Bonds5

About 4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene

4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 107691631) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
PubChem CID107691631
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(CBr)cc2F)cc1
InChIInChI=1S/C15H14BrFO2/c1-18-13-5-2-11(3-6-13)10-19-15-7-4-12(9-16)8-14(15)17/h2-8H,9-10H2,1H3
InChIKeyHOBMRZVYECAJAH-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.31
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

[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
CID 107087773
1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 115582214
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
CID 107691893
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine
CID 107691675
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
4-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 107691593

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene (CID 107691631) is 4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccc(CBr)cc2F)cc1.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is HOBMRZVYECAJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-18-13-5-2-11(3-6-13)10-19-15-7-4-12(9-16)8-14(15)17/h2-8H,9-10H2,1H3.
What are the key properties of 4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene?
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 325.18 g/mol, XLogP of 4.31, 5 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-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 107691631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).