4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene

C14H12BrFO — CID 146003862

IUPAC4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H12BrFO/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-8H,9H2,1H3
InChIKeyJMOIXWWYHNYZET-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.48
Rot. Bonds3

About 4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene

4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene (PubChem CID 146003862) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
PubChem CID146003862
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H12BrFO/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-8H,9H2,1H3
InChIKeyJMOIXWWYHNYZET-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-[(4-bromo-2-fluorophenoxy)methyl]aniline
CID 115557489
5-[(4-bromo-2-fluorophenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 65344049
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
1,6-dibromo-2-[(4-methylphenyl)methoxy]naphthalene
CID 134843780
4-bromo-1-[(4-methylphenyl)methoxy]-2-nitrobenzene
CID 143874994
3-[(4-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646487
2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63534889
4-[(4-bromo-2-fluorophenoxy)methyl]-2-chloropyridine
CID 55069584
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
1-[3-fluoro-4-[(4-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one
CID 159779846
4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
CID 43342384
2,3-difluoro-1-methoxy-4-[(4-methylphenyl)methoxy]benzene
CID 123795943

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene?
The IUPAC name of 4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene (CID 146003862) is 4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene is Cc1ccc(COc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene?
The InChIKey is JMOIXWWYHNYZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene?
4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene has a molecular weight of 295.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene is sourced from PubChem (CID 146003862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).