2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene

C17H18BrFO — CID 81005014

IUPAC2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1OCc1cc(Br)ccc1F
InChIInChI=1S/C17H18BrFO/c1-11(2)13-5-4-12(3)17(9-13)20-10-14-8-15(18)6-7-16(14)19/h4-9,11H,10H2,1-3H3
InChIKeyBAJJTZXHSZZQPL-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.60
Rot. Bonds4

About 2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene

2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene (PubChem CID 81005014) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
PubChem CID81005014
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1OCc1cc(Br)ccc1F
InChIInChI=1S/C17H18BrFO/c1-11(2)13-5-4-12(3)17(9-13)20-10-14-8-15(18)6-7-16(14)19/h4-9,11H,10H2,1-3H3
InChIKeyBAJJTZXHSZZQPL-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 63458719
1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 81004752
[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107879001
3-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]aniline
CID 64767730
1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 64763343
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
4-bromo-1-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 114672595
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
CID 114252418
[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552389

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene (CID 81005014) is 2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene is Cc1ccc(C(C)C)cc1OCc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene?
The InChIKey is BAJJTZXHSZZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-11(2)13-5-4-12(3)17(9-13)20-10-14-8-15(18)6-7-16(14)19/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene?
2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene has a molecular weight of 337.23 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methoxy]-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 81005014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).