1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene

C13H7BrCl3FO — CID 114068078

IUPAC1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene
SMILESFc1cc(Oc2c(Cl)cccc2CCl)c(Br)cc1Cl
InChIInChI=1S/C13H7BrCl3FO/c14-8-4-10(17)11(18)5-12(8)19-13-7(6-15)2-1-3-9(13)16/h1-5H,6H2
InChIKeyUQSIPVXAGUTZJL-UHFFFAOYSA-N
MW384.46 g/mol
LogP6.43
Rot. Bonds3

About 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene

1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene (PubChem CID 114068078) has the molecular formula C13H7BrCl3FO and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene
PubChem CID114068078
Molecular FormulaC13H7BrCl3FO
Molecular Weight384.46 g/mol
Exact Mass381.87
IUPAC Name1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene
SMILESFc1cc(Oc2c(Cl)cccc2CCl)c(Br)cc1Cl
InChIInChI=1S/C13H7BrCl3FO/c14-8-4-10(17)11(18)5-12(8)19-13-7(6-15)2-1-3-9(13)16/h1-5H,6H2
InChIKeyUQSIPVXAGUTZJL-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695
2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
CID 114042760
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 103047074
4-[2-chloro-6-(chloromethyl)phenoxy]-2-fluorobenzonitrile
CID 114068043
3-(2-bromo-4-chloro-5-fluorophenoxy)pyridine-2-carbonitrile
CID 114042653
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene
CID 114068008
1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene
CID 114067983
4-bromo-2-(2-bromo-4-chloro-5-fluorophenoxy)benzaldehyde
CID 114042688
[6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol
CID 114042755
1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene?
The IUPAC name of 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene (CID 114068078) is 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene?
The canonical SMILES for 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene is Fc1cc(Oc2c(Cl)cccc2CCl)c(Br)cc1Cl.
What is the InChIKey of 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene?
The InChIKey is UQSIPVXAGUTZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl3FO/c14-8-4-10(17)11(18)5-12(8)19-13-7(6-15)2-1-3-9(13)16/h1-5H,6H2.
What are the key properties of 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene?
1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene has a molecular weight of 384.46 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene is sourced from PubChem (CID 114068078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).