1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene

C15H14BrFO2 — CID 102983162

IUPAC1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(COc2cc(F)ccc2C)c1
InChIInChI=1S/C15H14BrFO2/c1-10-3-4-12(17)8-15(10)19-9-11-7-13(18-2)5-6-14(11)16/h3-8H,9H2,1-2H3
InChIKeySRVOAZFWSDPSCZ-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.48
Rot. Bonds4

About 1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene

1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene (PubChem CID 102983162) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
PubChem CID102983162
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(COc2cc(F)ccc2C)c1
InChIInChI=1S/C15H14BrFO2/c1-10-3-4-12(17)8-15(10)19-9-11-7-13(18-2)5-6-14(11)16/h3-8H,9H2,1-2H3
InChIKeySRVOAZFWSDPSCZ-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

2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorophenyl]ethanamine
CID 79005238
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline
CID 65322224
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657260
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
CID 65326523
1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 65321998
2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 104704645
[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 61267594
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene?
The IUPAC name of 1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene (CID 102983162) is 1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene is COc1ccc(Br)c(COc2cc(F)ccc2C)c1.
What is the InChIKey of 1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene?
The InChIKey is SRVOAZFWSDPSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-10-3-4-12(17)8-15(10)19-9-11-7-13(18-2)5-6-14(11)16/h3-8H,9H2,1-2H3.
What are the key properties of 1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene?
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene 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-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene is sourced from PubChem (CID 102983162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).