5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene

C16H15BrF2O — CID 118408184

IUPAC5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
SMILESCC(C)c1ccc(COc2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C16H15BrF2O/c1-10(2)12-5-3-11(4-6-12)9-20-16-14(18)7-13(17)8-15(16)19/h3-8,10H,9H2,1-2H3
InChIKeyPZRVEKJDTKRBFR-UHFFFAOYSA-N
MW341.20 g/mol
LogP5.43
Rot. Bonds4

About 5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene

5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene (PubChem CID 118408184) has the molecular formula C16H15BrF2O and a molecular weight of 341.20 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
PubChem CID118408184
Molecular FormulaC16H15BrF2O
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
SMILESCC(C)c1ccc(COc2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C16H15BrF2O/c1-10(2)12-5-3-11(4-6-12)9-20-16-14(18)7-13(17)8-15(16)19/h3-8,10H,9H2,1-2H3
InChIKeyPZRVEKJDTKRBFR-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.20
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 114672595
5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 115961814
5-bromo-1-(chloromethyl)-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 115962315
3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 107738328
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
5-bromo-2-[(4-propan-2-ylphenyl)methoxy]aniline
CID 65430532
N-[[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882222
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232
1-[4-bromo-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 102946440
2-[3-bromo-4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 63422162
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene
CID 135206571

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The IUPAC name of 5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene (CID 118408184) is 5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The canonical SMILES for 5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene is CC(C)c1ccc(COc2c(F)cc(Br)cc2F)cc1.
What is the InChIKey of 5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene?
The InChIKey is PZRVEKJDTKRBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O/c1-10(2)12-5-3-11(4-6-12)9-20-16-14(18)7-13(17)8-15(16)19/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene?
5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene has a molecular weight of 341.20 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene is sourced from PubChem (CID 118408184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).