4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene

C14H11BrClFO — CID 43438767

IUPAC4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1COc1cccc(CCl)c1
InChIInChI=1S/C14H11BrClFO/c15-12-5-4-11(14(17)7-12)9-18-13-3-1-2-10(6-13)8-16/h1-7H,8-9H2
InChIKeyXIWGFFPSVGXYIP-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.91
Rot. Bonds4

About 4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene

4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene (PubChem CID 43438767) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
PubChem CID43438767
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
SMILESFc1cc(Br)ccc1COc1cccc(CCl)c1
InChIInChI=1S/C14H11BrClFO/c15-12-5-4-11(14(17)7-12)9-18-13-3-1-2-10(6-13)8-16/h1-7H,8-9H2
InChIKeyXIWGFFPSVGXYIP-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.91
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-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880914
1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
N-[[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63501140
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-nitrobenzene
CID 114381870
4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 60628071
2-bromo-1-[(4-bromo-2-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63536412
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene?
The IUPAC name of 4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene (CID 43438767) is 4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene is Fc1cc(Br)ccc1COc1cccc(CCl)c1.
What is the InChIKey of 4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene?
The InChIKey is XIWGFFPSVGXYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-12-5-4-11(14(17)7-12)9-18-13-3-1-2-10(6-13)8-16/h1-7H,8-9H2.
What are the key properties of 4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene?
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene has a molecular weight of 329.60 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene is sourced from PubChem (CID 43438767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).