1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene

C15H14BrFO — CID 55192230

IUPAC1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H14BrFO/c1-10-5-11(2)7-14(6-10)18-9-12-3-4-13(17)8-15(12)16/h3-8H,9H2,1-2H3
InChIKeyPWYRVNQDZCGMBG-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.78
Rot. Bonds3

About 1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene

1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene (PubChem CID 55192230) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
PubChem CID55192230
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H14BrFO/c1-10-5-11(2)7-14(6-10)18-9-12-3-4-13(17)8-15(12)16/h3-8H,9H2,1-2H3
InChIKeyPWYRVNQDZCGMBG-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-bromo-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102773013
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
[2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane
CID 167440330
1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908405
(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 63365654
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947233
methyl N-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]carbamate
CID 60522492
2-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluoroaniline
CID 107722724
1-[4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716998
[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 61267594

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene (CID 55192230) is 1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene is Cc1cc(C)cc(OCc2ccc(F)cc2Br)c1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene?
The InChIKey is PWYRVNQDZCGMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-10-5-11(2)7-14(6-10)18-9-12-3-4-13(17)8-15(12)16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene?
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene has a molecular weight of 309.18 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene is sourced from PubChem (CID 55192230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).