2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene

C16H16BrFO — CID 107698949

IUPAC2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
SMILESCc1ccc(C)c(COc2ccc(F)cc2CBr)c1
InChIInChI=1S/C16H16BrFO/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(18)8-13(16)9-17/h3-8H,9-10H2,1-2H3
InChIKeyGADQRHFDKXVDHS-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.92
Rot. Bonds4

About 2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene

2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene (PubChem CID 107698949) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
PubChem CID107698949
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
SMILESCc1ccc(C)c(COc2ccc(F)cc2CBr)c1
InChIInChI=1S/C16H16BrFO/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(18)8-13(16)9-17/h3-8H,9-10H2,1-2H3
InChIKeyGADQRHFDKXVDHS-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
CID 63535072
2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene
CID 63534722
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 105370352
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-4-methylbenzene
CID 63535753
1-[[2-(bromomethyl)-4-methylphenoxy]methyl]-3,5-dimethylbenzene
CID 63536416
3-[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 61482091
3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 105374454
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene?
The IUPAC name of 2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene (CID 107698949) is 2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene.
What is the SMILES notation for 2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene?
The canonical SMILES for 2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene is Cc1ccc(C)c(COc2ccc(F)cc2CBr)c1.
What is the InChIKey of 2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene?
The InChIKey is GADQRHFDKXVDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-15(18)8-13(16)9-17/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene?
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene has a molecular weight of 323.21 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene is sourced from PubChem (CID 107698949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).