4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene

C14H12BrFO — CID 107170182

IUPAC4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
SMILESCc1ccc(OCc2cccc(Br)c2)cc1F
InChIInChI=1S/C14H12BrFO/c1-10-5-6-13(8-14(10)16)17-9-11-3-2-4-12(15)7-11/h2-8H,9H2,1H3
InChIKeyHYJBYPIFZWTWGX-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.48
Rot. Bonds3

About 4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene

4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene (PubChem CID 107170182) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
PubChem CID107170182
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
SMILESCc1ccc(OCc2cccc(Br)c2)cc1F
InChIInChI=1S/C14H12BrFO/c1-10-5-6-13(8-14(10)16)17-9-11-3-2-4-12(15)7-11/h2-8H,9H2,1H3
InChIKeyHYJBYPIFZWTWGX-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

1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
CID 113437320
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
4-[(3-bromophenyl)methoxy]-2-methylbenzonitrile
CID 82825564
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941
4-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 23377294
5-[(3-bromophenoxy)methyl]-2-methylphenol
CID 117221825

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene (CID 107170182) is 4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene is Cc1ccc(OCc2cccc(Br)c2)cc1F.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene?
The InChIKey is HYJBYPIFZWTWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-10-5-6-13(8-14(10)16)17-9-11-3-2-4-12(15)7-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene?
4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene 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-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene is sourced from PubChem (CID 107170182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).