1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene

C20H15BrF2O2 — CID 67153750

IUPAC1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene
SMILESCOc1cc(F)c(F)cc1-c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C20H15BrF2O2/c1-24-20-11-19(23)18(22)10-17(20)14-5-7-16(8-6-14)25-12-13-3-2-4-15(21)9-13/h2-11H,12H2,1H3
InChIKeyJIHZBSMNWKSEOU-UHFFFAOYSA-N
MW405.24 g/mol
LogP5.98
Rot. Bonds5

About 1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene

1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene (PubChem CID 67153750) has the molecular formula C20H15BrF2O2 and a molecular weight of 405.24 g/mol. Its IUPAC name is 1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene
PubChem CID67153750
Molecular FormulaC20H15BrF2O2
Molecular Weight405.24 g/mol
Exact Mass404.02
IUPAC Name1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene
SMILESCOc1cc(F)c(F)cc1-c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C20H15BrF2O2/c1-24-20-11-19(23)18(22)10-17(20)14-5-7-16(8-6-14)25-12-13-3-2-4-15(21)9-13/h2-11H,12H2,1H3
InChIKeyJIHZBSMNWKSEOU-UHFFFAOYSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.24
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-Isopropylidenebis(4-(allyloxy)-3,5-dibromobenzene)
CID 61972
3-Bromo-4-methoxybiphenyl
CID 262267
3-Bromo-4'-methoxybiphenyl
CID 2757035
6-bromo-2-phenyl-2H-chromene
CID 44721340
1,1':4',1''-Terphenyl, 4''-butoxy-4-ethyl-2',2'',3''-trifluoro-
CID 85873349
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, 1-(4-bromophenoxy)-3-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-
CID 3067170
Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067209
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene?
The IUPAC name of 1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene (CID 67153750) is 1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene.
What is the SMILES notation for 1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene?
The canonical SMILES for 1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene is COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of 1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene?
The InChIKey is JIHZBSMNWKSEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF2O2/c1-24-20-11-19(23)18(22)10-17(20)14-5-7-16(8-6-14)25-12-13-3-2-4-15(21)9-13/h2-11H,12H2,1H3.
What are the key properties of 1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene?
1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene has a molecular weight of 405.24 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene is sourced from PubChem (CID 67153750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).