1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene

C16H16BrFO — CID 146667361

IUPAC1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene
SMILESCOc1c(Br)cc(F)cc1-c1c(C)cc(C)cc1C
InChIInChI=1S/C16H16BrFO/c1-9-5-10(2)15(11(3)6-9)13-7-12(18)8-14(17)16(13)19-4/h5-8H,1-4H3
InChIKeyGWRWKVFVADAVCK-UHFFFAOYSA-N
MW323.21 g/mol
LogP5.19
Rot. Bonds2

About 1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene

1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene (PubChem CID 146667361) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene
PubChem CID146667361
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene
SMILESCOc1c(Br)cc(F)cc1-c1c(C)cc(C)cc1C
InChIInChI=1S/C16H16BrFO/c1-9-5-10(2)15(11(3)6-9)13-7-12(18)8-14(17)16(13)19-4/h5-8H,1-4H3
InChIKeyGWRWKVFVADAVCK-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.21
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene?
The IUPAC name of 1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene (CID 146667361) is 1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene.
What is the SMILES notation for 1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene?
The canonical SMILES for 1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene is COc1c(Br)cc(F)cc1-c1c(C)cc(C)cc1C.
What is the InChIKey of 1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene?
The InChIKey is GWRWKVFVADAVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-9-5-10(2)15(11(3)6-9)13-7-12(18)8-14(17)16(13)19-4/h5-8H,1-4H3.
What are the key properties of 1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene?
1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene has a molecular weight of 323.21 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene is sourced from PubChem (CID 146667361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).