1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene

C14H11Br2FO — CID 83134047

IUPAC1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
SMILESCc1cc(OCc2ccc(Br)cc2F)ccc1Br
InChIInChI=1S/C14H11Br2FO/c1-9-6-12(4-5-13(9)16)18-8-10-2-3-11(15)7-14(10)17/h2-7H,8H2,1H3
InChIKeyOTPWGHVCLFMGEY-UHFFFAOYSA-N
MW374.05 g/mol
LogP5.24
Rot. Bonds3

About 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene

1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene (PubChem CID 83134047) has the molecular formula C14H11Br2FO and a molecular weight of 374.05 g/mol. Its IUPAC name is 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
PubChem CID83134047
Molecular FormulaC14H11Br2FO
Molecular Weight374.05 g/mol
Exact Mass371.92
IUPAC Name1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
SMILESCc1cc(OCc2ccc(Br)cc2F)ccc1Br
InChIInChI=1S/C14H11Br2FO/c1-9-6-12(4-5-13(9)16)18-8-10-2-3-11(15)7-14(10)17/h2-7H,8H2,1H3
InChIKeyOTPWGHVCLFMGEY-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.05
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene 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

4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
4-bromo-1-[(4-tert-butylphenoxy)methyl]-2-fluorobenzene
CID 60627973
2-[(4-bromo-3-methylphenoxy)methyl]-5-fluoroaniline
CID 83133849
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
[3-[(4-bromo-3-methylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 83134024
2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
CID 60627093
5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine
CID 115282947
4-bromo-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 47111059

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene (CID 83134047) is 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene is Cc1cc(OCc2ccc(Br)cc2F)ccc1Br.
What is the InChIKey of 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene?
The InChIKey is OTPWGHVCLFMGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO/c1-9-6-12(4-5-13(9)16)18-8-10-2-3-11(15)7-14(10)17/h2-7H,8H2,1H3.
What are the key properties of 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene?
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene has a molecular weight of 374.05 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene is sourced from PubChem (CID 83134047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).