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

C15H14BrFO2 — CID 83133800

IUPAC1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
SMILESCOc1ccc(COc2ccc(Br)c(C)c2)cc1F
InChIInChI=1S/C15H14BrFO2/c1-10-7-12(4-5-13(10)16)19-9-11-3-6-15(18-2)14(17)8-11/h3-8H,9H2,1-2H3
InChIKeyBLGOHEAKWUZUFK-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.48
Rot. Bonds4

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

1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene (PubChem CID 83133800) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
PubChem CID83133800
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
SMILESCOc1ccc(COc2ccc(Br)c(C)c2)cc1F
InChIInChI=1S/C15H14BrFO2/c1-10-7-12(4-5-13(10)16)19-9-11-3-6-15(18-2)14(17)8-11/h3-8H,9H2,1-2H3
InChIKeyBLGOHEAKWUZUFK-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178
4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
CID 43089834
4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
CID 81421870
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000
[3-[(4-bromo-3-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 83133090

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene (CID 83133800) is 1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene is COc1ccc(COc2ccc(Br)c(C)c2)cc1F.
What is the InChIKey of 1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene?
The InChIKey is BLGOHEAKWUZUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-10-7-12(4-5-13(10)16)19-9-11-3-6-15(18-2)14(17)8-11/h3-8H,9H2,1-2H3.
What are the key properties of 1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene?
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene has a molecular weight of 325.18 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene is sourced from PubChem (CID 83133800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).