5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene

C26H19BrF2O2 — CID 68989174

IUPAC5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene
SMILESCc1ccccc1Oc1c(F)cccc1-c1cc(Br)cc(F)c1Oc1ccccc1C
InChIInChI=1S/C26H19BrF2O2/c1-16-8-3-5-12-23(16)30-25-19(10-7-11-21(25)28)20-14-18(27)15-22(29)26(20)31-24-13-6-4-9-17(24)2/h3-15H,1-2H3
InChIKeySLIPMWNEHKCLDJ-UHFFFAOYSA-N
MW481.34 g/mol
LogP8.60
Rot. Bonds5

About 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene

5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene (PubChem CID 68989174) has the molecular formula C26H19BrF2O2 and a molecular weight of 481.34 g/mol. Its IUPAC name is 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene.

Molecular Properties

Compound Name5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene
PubChem CID68989174
Molecular FormulaC26H19BrF2O2
Molecular Weight481.34 g/mol
Exact Mass480.05
IUPAC Name5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene
SMILESCc1ccccc1Oc1c(F)cccc1-c1cc(Br)cc(F)c1Oc1ccccc1C
InChIInChI=1S/C26H19BrF2O2/c1-16-8-3-5-12-23(16)30-25-19(10-7-11-21(25)28)20-14-18(27)15-22(29)26(20)31-24-13-6-4-9-17(24)2/h3-15H,1-2H3
InChIKeySLIPMWNEHKCLDJ-UHFFFAOYSA-N
XLogP8.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.34
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene 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

5,5'-Dibromo-2,2'-dimethoxybiphenyl
CID 378886
Benzene, 1-(4-bromophenoxy)-3-((2-(4-fluorophenyl)-2-methylbutoxy)methyl)-
CID 3067123
Benzene, 1-(4-bromophenoxy)-3-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-
CID 3067137
Benzene, 1-(4-bromophenoxy)-3-((2-(3-(trifluoromethyl)phenyl)-2-methylpropoxy)methyl)-
CID 3067148
Benzene, 4-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-1-fluoro-2-phenoxy-
CID 3068482
Benzene, 2-(4-bromophenoxy)-4-((2-(4-ethoxyphenyl)-2-methylprpoxy)methyl)-1-fluoro-
CID 3068499
5-Bromo-2-methoxytriphenylmethanol
CID 3499772
1-bromo-4-[(Z)-2-(2-tert-butylphenoxy)-1,2-difluoroethenoxy]benzene
CID 53475470
1-bromo-4-[(Z)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene
CID 53475471
1-bromo-4-[(E)-1,2-difluoro-2-(2-phenylphenoxy)ethenoxy]benzene
CID 135002429
1-bromo-4-[(E)-2-(2-tert-butylphenoxy)-1,2-difluoroethenoxy]benzene
CID 135004938
1-(Benzyloxy)-4-bromo-2-(trifluoromethyl)benzene
CID 18620160

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene?
The IUPAC name of 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene (CID 68989174) is 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene.
What is the SMILES notation for 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene?
The canonical SMILES for 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene is Cc1ccccc1Oc1c(F)cccc1-c1cc(Br)cc(F)c1Oc1ccccc1C.
What is the InChIKey of 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene?
The InChIKey is SLIPMWNEHKCLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrF2O2/c1-16-8-3-5-12-23(16)30-25-19(10-7-11-21(25)28)20-14-18(27)15-22(29)26(20)31-24-13-6-4-9-17(24)2/h3-15H,1-2H3.
What are the key properties of 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene?
5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene has a molecular weight of 481.34 g/mol, XLogP of 8.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-fluoro-3-[3-fluoro-2-(2-methylphenoxy)phenyl]-2-(2-methylphenoxy)benzene is sourced from PubChem (CID 68989174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).