2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde

C16H15FO4 — CID 20984228

IUPAC2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCCOc2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO4/c1-19-15-5-2-12(11-18)16(10-15)21-9-8-20-14-6-3-13(17)4-7-14/h2-7,10-11H,8-9H2,1H3
InChIKeyITQRGDWBYKLWHA-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.10
Rot. Bonds7

About 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde

2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde (PubChem CID 20984228) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
PubChem CID20984228
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCCOc2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO4/c1-19-15-5-2-12(11-18)16(10-15)21-9-8-20-14-6-3-13(17)4-7-14/h2-7,10-11H,8-9H2,1H3
InChIKeyITQRGDWBYKLWHA-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde 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-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
CID 61060048
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
4-fluoro-2-propoxybenzaldehyde
CID 74889364
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 22680268
4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685969

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde (CID 20984228) is 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde is COc1ccc(C=O)c(OCCOc2ccc(F)cc2)c1.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde?
The InChIKey is ITQRGDWBYKLWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-19-15-5-2-12(11-18)16(10-15)21-9-8-20-14-6-3-13(17)4-7-14/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde?
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde has a molecular weight of 290.29 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 20984228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).