2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene

C17H17BrF2O — CID 151663329

IUPAC2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene
SMILESCc1cccc(C(F)F)c1Oc1ccc(C(C)C)cc1Br
InChIInChI=1S/C17H17BrF2O/c1-10(2)12-7-8-15(14(18)9-12)21-16-11(3)5-4-6-13(16)17(19)20/h4-10,17H,1-3H3
InChIKeyQWZQDUSUFVPEIL-UHFFFAOYSA-N
MW355.22 g/mol
LogP6.61
Rot. Bonds4

About 2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene

2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene (PubChem CID 151663329) has the molecular formula C17H17BrF2O and a molecular weight of 355.22 g/mol. Its IUPAC name is 2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene
PubChem CID151663329
Molecular FormulaC17H17BrF2O
Molecular Weight355.22 g/mol
Exact Mass354.04
IUPAC Name2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene
SMILESCc1cccc(C(F)F)c1Oc1ccc(C(C)C)cc1Br
InChIInChI=1S/C17H17BrF2O/c1-10(2)12-7-8-15(14(18)9-12)21-16-11(3)5-4-6-13(16)17(19)20/h4-10,17H,1-3H3
InChIKeyQWZQDUSUFVPEIL-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.22
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 19206202
[3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol
CID 139341756
1-[3-bromo-4-(2,3-dimethylphenoxy)phenyl]-N-methylethanamine
CID 63531961
1-[3-bromo-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63533635
1-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)benzene
CID 134622447
1-methyl-6-propan-2-ylnaphthalene
CID 58126565
1-[3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanol
CID 115402404
(2S)-2-(2-bromo-4-propan-2-ylphenoxy)propanoic acid
CID 42207548
2-bromo-6-(2-methyl-5-propan-2-ylphenoxy)benzonitrile
CID 114881626
2-(2-bromo-4-fluorophenoxy)-1-methyl-3-nitrobenzene
CID 115551202
1-[3-bromo-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 63534112
7-(difluoromethyl)-1-methylnaphthalene
CID 118843150

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene?
The IUPAC name of 2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene (CID 151663329) is 2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene.
What is the SMILES notation for 2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene?
The canonical SMILES for 2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene is Cc1cccc(C(F)F)c1Oc1ccc(C(C)C)cc1Br.
What is the InChIKey of 2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene?
The InChIKey is QWZQDUSUFVPEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2O/c1-10(2)12-7-8-15(14(18)9-12)21-16-11(3)5-4-6-13(16)17(19)20/h4-10,17H,1-3H3.
What are the key properties of 2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene?
2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene has a molecular weight of 355.22 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(difluoromethyl)-6-methylphenoxy]-4-propan-2-ylbenzene is sourced from PubChem (CID 151663329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).