1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene

C16H16BrFO3 — CID 61267627

IUPAC1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(CBr)c(OCc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H16BrFO3/c1-19-13-5-4-12(9-17)16(8-13)21-10-11-3-6-15(20-2)14(18)7-11/h3-8H,9-10H2,1-2H3
InChIKeyPXAKYGANYFDJGD-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.32
Rot. Bonds6

About 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene

1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene (PubChem CID 61267627) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
PubChem CID61267627
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(CBr)c(OCc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H16BrFO3/c1-19-13-5-4-12(9-17)16(8-13)21-10-11-3-6-15(20-2)14(18)7-11/h3-8H,9-10H2,1-2H3
InChIKeyPXAKYGANYFDJGD-UHFFFAOYSA-N
XLogP4.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-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-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
1-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63534360
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene
CID 80694443
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene?
The IUPAC name of 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene (CID 61267627) is 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene is COc1ccc(CBr)c(OCc2ccc(OC)c(F)c2)c1.
What is the InChIKey of 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene?
The InChIKey is PXAKYGANYFDJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-19-13-5-4-12(9-17)16(8-13)21-10-11-3-6-15(20-2)14(18)7-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene?
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene has a molecular weight of 355.20 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene is sourced from PubChem (CID 61267627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).