2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene

C14H12BrFO — CID 107088711

IUPAC2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(Oc2ccc(CBr)cc2)c1
InChIInChI=1S/C14H12BrFO/c1-10-2-7-13(16)14(8-10)17-12-5-3-11(9-15)4-6-12/h2-8H,9H2,1H3
InChIKeyDYKAVVYRDFPLJB-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.82
Rot. Bonds3

About 2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene

2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene (PubChem CID 107088711) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene
PubChem CID107088711
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(Oc2ccc(CBr)cc2)c1
InChIInChI=1S/C14H12BrFO/c1-10-2-7-13(16)14(8-10)17-12-5-3-11(9-15)4-6-12/h2-8H,9H2,1H3
InChIKeyDYKAVVYRDFPLJB-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene?
The IUPAC name of 2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene (CID 107088711) is 2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene is Cc1ccc(F)c(Oc2ccc(CBr)cc2)c1.
What is the InChIKey of 2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene?
The InChIKey is DYKAVVYRDFPLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-10-2-7-13(16)14(8-10)17-12-5-3-11(9-15)4-6-12/h2-8H,9H2,1H3.
What are the key properties of 2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene?
2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene has a molecular weight of 295.15 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)phenoxy]-1-fluoro-4-methylbenzene is sourced from PubChem (CID 107088711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).