4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene

C14H12BrFO2 — CID 43089834

IUPAC4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(COc2cccc(Br)c2)cc1F
InChIInChI=1S/C14H12BrFO2/c1-17-14-6-5-10(7-13(14)16)9-18-12-4-2-3-11(15)8-12/h2-8H,9H2,1H3
InChIKeyLRWKGMHHDPUVHL-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.18
Rot. Bonds4

About 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene

4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene (PubChem CID 43089834) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
PubChem CID43089834
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(COc2cccc(Br)c2)cc1F
InChIInChI=1S/C14H12BrFO2/c1-17-14-6-5-10(7-13(14)16)9-18-12-4-2-3-11(15)8-12/h2-8H,9H2,1H3
InChIKeyLRWKGMHHDPUVHL-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine
CID 62047655
4-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-2-fluoro-1-methoxybenzene
CID 66043530
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60905993
2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene
CID 78978484
(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216
5-[(3-bromophenoxy)methyl]-2-methylphenol
CID 117221825
4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107170182

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene (CID 43089834) is 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene is COc1ccc(COc2cccc(Br)c2)cc1F.
What is the InChIKey of 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene?
The InChIKey is LRWKGMHHDPUVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2/c1-17-14-6-5-10(7-13(14)16)9-18-12-4-2-3-11(15)8-12/h2-8H,9H2,1H3.
What are the key properties of 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene?
4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene has a molecular weight of 311.15 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 43089834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).