1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene

C14H11BrClFO — CID 107087281

IUPAC1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
SMILESCc1cc(Cl)ccc1Oc1ccc(CBr)cc1F
InChIInChI=1S/C14H11BrClFO/c1-9-6-11(16)3-5-13(9)18-14-4-2-10(8-15)7-12(14)17/h2-7H,8H2,1H3
InChIKeyFZOGHMLXWVQIFZ-UHFFFAOYSA-N
MW329.60 g/mol
LogP5.47
Rot. Bonds3

About 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene

1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene (PubChem CID 107087281) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
PubChem CID107087281
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
SMILESCc1cc(Cl)ccc1Oc1ccc(CBr)cc1F
InChIInChI=1S/C14H11BrClFO/c1-9-6-11(16)3-5-13(9)18-14-4-2-10(8-15)7-12(14)17/h2-7H,8H2,1H3
InChIKeyFZOGHMLXWVQIFZ-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.60
LogP ≤ 55.47
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

1-[4-(bromomethyl)-2-fluorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087600
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene
CID 107089318
4-(bromomethyl)-1-(5-chloro-2-nitrophenoxy)-2-fluorobenzene
CID 107088334
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethylbenzene
CID 107087006
1-[4-(bromomethyl)-2-fluorophenoxy]-2,5-dimethyl-4-nitrobenzene
CID 107088452
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene
CID 107087825
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
CID 107089080
4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
CID 107087773
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene?
The IUPAC name of 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene (CID 107087281) is 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene.
What is the SMILES notation for 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene?
The canonical SMILES for 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene is Cc1cc(Cl)ccc1Oc1ccc(CBr)cc1F.
What is the InChIKey of 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene?
The InChIKey is FZOGHMLXWVQIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-9-6-11(16)3-5-13(9)18-14-4-2-10(8-15)7-12(14)17/h2-7H,8H2,1H3.
What are the key properties of 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene?
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene has a molecular weight of 329.60 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene is sourced from PubChem (CID 107087281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).