1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene

C14H10Br2ClFO — CID 113276980

IUPAC1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
SMILESFc1cc(Br)ccc1COc1cccc(Cl)c1CBr
InChIInChI=1S/C14H10Br2ClFO/c15-7-11-12(17)2-1-3-14(11)19-8-9-4-5-10(16)6-13(9)18/h1-6H,7-8H2
InChIKeyAHZPEDNEAOUUCS-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.72
Rot. Bonds4

About 1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene

1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene (PubChem CID 113276980) has the molecular formula C14H10Br2ClFO and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
PubChem CID113276980
Molecular FormulaC14H10Br2ClFO
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
SMILESFc1cc(Br)ccc1COc1cccc(Cl)c1CBr
InChIInChI=1S/C14H10Br2ClFO/c15-7-11-12(17)2-1-3-14(11)19-8-9-4-5-10(16)6-13(9)18/h1-6H,7-8H2
InChIKeyAHZPEDNEAOUUCS-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.72
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-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321633
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321906
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 114321006
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene
CID 55222863
2-bromo-1-[(4-bromo-2-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63536412
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
4-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-3-chlorobenzonitrile
CID 102668795
5-bromo-2-[(3-chloro-2-fluorophenoxy)methyl]aniline
CID 114380891
2-(bromomethyl)-1-chloro-3-[(2,5-dimethylphenyl)methoxy]benzene
CID 113276988

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene (CID 113276980) is 1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene is Fc1cc(Br)ccc1COc1cccc(Cl)c1CBr.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene?
The InChIKey is AHZPEDNEAOUUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO/c15-7-11-12(17)2-1-3-14(11)19-8-9-4-5-10(16)6-13(9)18/h1-6H,7-8H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene?
1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene has a molecular weight of 408.49 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene is sourced from PubChem (CID 113276980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).