4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene

C16H17FO3 — CID 81421870

IUPAC4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
SMILESCOc1ccc(COc2ccc(F)c(C)c2)cc1OC
InChIInChI=1S/C16H17FO3/c1-11-8-13(5-6-14(11)17)20-10-12-4-7-15(18-2)16(9-12)19-3/h4-9H,10H2,1-3H3
InChIKeyFOYNVDIFNHPVAW-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.73
Rot. Bonds5

About 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene

4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene (PubChem CID 81421870) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
PubChem CID81421870
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
SMILESCOc1ccc(COc2ccc(F)c(C)c2)cc1OC
InChIInChI=1S/C16H17FO3/c1-11-8-13(5-6-14(11)17)20-10-12-4-7-15(18-2)16(9-12)19-3/h4-9H,10H2,1-3H3
InChIKeyFOYNVDIFNHPVAW-UHFFFAOYSA-N
XLogP3.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene 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

1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
5-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879747
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene (CID 81421870) is 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene is COc1ccc(COc2ccc(F)c(C)c2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene?
The InChIKey is FOYNVDIFNHPVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-11-8-13(5-6-14(11)17)20-10-12-4-7-15(18-2)16(9-12)19-3/h4-9H,10H2,1-3H3.
What are the key properties of 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene?
4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene has a molecular weight of 276.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 81421870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).