5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene

C15H13BrF2O — CID 107098576

IUPAC5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene
SMILESCc1ccc(C)c(COc2cc(Br)cc(F)c2F)c1
InChIInChI=1S/C15H13BrF2O/c1-9-3-4-10(2)11(5-9)8-19-14-7-12(16)6-13(17)15(14)18/h3-7H,8H2,1-2H3
InChIKeyUHZZVUWSXKSZRR-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.92
Rot. Bonds3

About 5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene

5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene (PubChem CID 107098576) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene
PubChem CID107098576
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene
SMILESCc1ccc(C)c(COc2cc(Br)cc(F)c2F)c1
InChIInChI=1S/C15H13BrF2O/c1-9-3-4-10(2)11(5-9)8-19-14-7-12(16)6-13(17)15(14)18/h3-7H,8H2,1-2H3
InChIKeyUHZZVUWSXKSZRR-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-[(4-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098658
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098749
(1S)-1-[4-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 102947145
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834
2-[4-[(5-bromo-2,3-difluorophenoxy)methyl]phenyl]-N-methylethanamine
CID 107101528
5-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-2,3-difluorobenzene
CID 107100289
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline
CID 103009356
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene?
The IUPAC name of 5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene (CID 107098576) is 5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene.
What is the SMILES notation for 5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene?
The canonical SMILES for 5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene is Cc1ccc(C)c(COc2cc(Br)cc(F)c2F)c1.
What is the InChIKey of 5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene?
The InChIKey is UHZZVUWSXKSZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-9-3-4-10(2)11(5-9)8-19-14-7-12(16)6-13(17)15(14)18/h3-7H,8H2,1-2H3.
What are the key properties of 5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene?
5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene has a molecular weight of 327.17 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene is sourced from PubChem (CID 107098576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).