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

C16H16BrFO — CID 60627093

IUPAC2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
SMILESCc1ccc(C)c(OCc2ccc(Br)cc2F)c1C
InChIInChI=1S/C16H16BrFO/c1-10-4-5-11(2)16(12(10)3)19-9-13-6-7-14(17)8-15(13)18/h4-8H,9H2,1-3H3
InChIKeyOURWIUSXZCBYCH-UHFFFAOYSA-N
MW323.21 g/mol
LogP5.09
Rot. Bonds3

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

2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene (PubChem CID 60627093) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
PubChem CID60627093
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
SMILESCc1ccc(C)c(OCc2ccc(Br)cc2F)c1C
InChIInChI=1S/C16H16BrFO/c1-10-4-5-11(2)16(12(10)3)19-9-13-6-7-14(17)8-15(13)18/h4-8H,9H2,1-3H3
InChIKeyOURWIUSXZCBYCH-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.21
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
CID 43345550
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
1,3-dibromo-2-[(4-bromo-2-fluorophenyl)methoxy]-5-(bromomethyl)benzene
CID 107745679
5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-1-methyl-3-nitrobenzene
CID 79844533
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene (CID 60627093) is 2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene is Cc1ccc(C)c(OCc2ccc(Br)cc2F)c1C.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene?
The InChIKey is OURWIUSXZCBYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-10-4-5-11(2)16(12(10)3)19-9-13-6-7-14(17)8-15(13)18/h4-8H,9H2,1-3H3.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene?
2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene has a molecular weight of 323.21 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene is sourced from PubChem (CID 60627093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).