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

C17H17FO4 — CID 78767323

IUPAC3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1ccc(OC)c(F)c1
InChIInChI=1S/C17H17FO4/c1-3-21-17-9-12(10-19)4-7-16(17)22-11-13-5-6-15(20-2)14(18)8-13/h4-10H,3,11H2,1-2H3
InChIKeyMIFMMHCNBAUSRP-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.62
Rot. Bonds7

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

3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde (PubChem CID 78767323) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
PubChem CID78767323
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1ccc(OC)c(F)c1
InChIInChI=1S/C17H17FO4/c1-3-21-17-9-12(10-19)4-7-16(17)22-11-13-5-6-15(20-2)14(18)8-13/h4-10H,3,11H2,1-2H3
InChIKeyMIFMMHCNBAUSRP-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethoxy-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-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
2-fluoro-5-[(5-formyl-2-methoxyphenoxy)methyl]benzonitrile
CID 103895057
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 79700724
4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
CID 4745695
4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 114849372
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
3-[(2-ethoxy-4-formylphenoxy)methyl]benzoic acid
CID 46785879
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]prop-2-enamide
CID 35605636

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde (CID 78767323) is 3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde is CCOc1cc(C=O)ccc1OCc1ccc(OC)c(F)c1.
What is the InChIKey of 3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
The InChIKey is MIFMMHCNBAUSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-3-21-17-9-12(10-19)4-7-16(17)22-11-13-5-6-15(20-2)14(18)8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde?
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde has a molecular weight of 304.32 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 78767323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).