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

C15H14BrFO — CID 83057703

IUPAC2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1OCc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrFO/c1-10-4-3-5-11(2)15(10)18-9-12-8-13(16)6-7-14(12)17/h3-8H,9H2,1-2H3
InChIKeyRAWSWNWAGKECQX-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.78
Rot. Bonds3

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

2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene (PubChem CID 83057703) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
PubChem CID83057703
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1OCc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrFO/c1-10-4-3-5-11(2)15(10)18-9-12-8-13(16)6-7-14(12)17/h3-8H,9H2,1-2H3
InChIKeyRAWSWNWAGKECQX-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

[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 64763343
5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 115962056
2-[(5-bromo-2-fluorophenyl)methoxy]-1-(chloromethyl)-3-ethoxybenzene
CID 43366805
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607692
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60879448
1,3-dibromo-2-[(5-bromo-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745416
2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
CID 60627093
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
CID 114252418
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chloro-1-(chloromethyl)-3-methoxybenzene
CID 104666298
2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739499

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene (CID 83057703) is 2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene is Cc1cccc(C)c1OCc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene?
The InChIKey is RAWSWNWAGKECQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-10-4-3-5-11(2)15(10)18-9-12-8-13(16)6-7-14(12)17/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene?
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-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 2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 83057703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).