2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene

C14H12BrFO — CID 28533453

IUPAC2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OCc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C14H12BrFO/c1-10-5-6-14(13(15)7-10)17-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3
InChIKeyCTKOAIHHDLSNPC-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.48
Rot. Bonds3

About 2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene

2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene (PubChem CID 28533453) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
PubChem CID28533453
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OCc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C14H12BrFO/c1-10-5-6-14(13(15)7-10)17-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3
InChIKeyCTKOAIHHDLSNPC-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-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
N-[[3-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62460175
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
3-[(2-bromo-4-methylphenoxy)methyl]benzamide
CID 28602474
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
N-[2-(2-bromo-4-methylphenoxy)ethyl]-3-fluoroaniline
CID 63517825
(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 55247059
2-(3-chloroprop-1-ynyl)-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 60799542
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933
4-bromo-3-[(3-fluorophenyl)methoxy]aniline
CID 103008828
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene?
The IUPAC name of 2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene (CID 28533453) is 2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene?
The canonical SMILES for 2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene is Cc1ccc(OCc2cccc(F)c2)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene?
The InChIKey is CTKOAIHHDLSNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-10-5-6-14(13(15)7-10)17-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene?
2-bromo-1-[(3-fluorophenyl)methoxy]-4-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 2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene is sourced from PubChem (CID 28533453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).