3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde

C15H12F2O3 — CID 103850009

IUPAC3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2ccc(C=O)cc2F)cc1F
InChIInChI=1S/C15H12F2O3/c1-19-14-4-3-11(7-12(14)16)9-20-15-5-2-10(8-18)6-13(15)17/h2-8H,9H2,1H3
InChIKeyGXQJBNKHXUGPBP-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.36
Rot. Bonds5

About 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde

3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde (PubChem CID 103850009) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
PubChem CID103850009
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2ccc(C=O)cc2F)cc1F
InChIInChI=1S/C15H12F2O3/c1-19-14-4-3-11(7-12(14)16)9-20-15-5-2-10(8-18)6-13(15)17/h2-8H,9H2,1H3
InChIKeyGXQJBNKHXUGPBP-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde 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

3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde
CID 107689678
4-[(2-fluoro-4-formylphenoxy)methyl]benzonitrile
CID 113338138
2-fluoro-5-[(5-formyl-2-methoxyphenoxy)methyl]benzonitrile
CID 103895057
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
CID 107693710
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8534779
3-[(2-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 818604
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde (CID 103850009) is 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde is COc1ccc(COc2ccc(C=O)cc2F)cc1F.
What is the InChIKey of 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
The InChIKey is GXQJBNKHXUGPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-14-4-3-11(7-12(14)16)9-20-15-5-2-10(8-18)6-13(15)17/h2-8H,9H2,1H3.
What are the key properties of 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde has a molecular weight of 278.25 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 103850009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).