3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde

C20H23ClO4 — CID 22680981

IUPAC3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
SMILESCCCc1ccc(OCCOc2c(Cl)cc(C=O)cc2OCC)cc1
InChIInChI=1S/C20H23ClO4/c1-3-5-15-6-8-17(9-7-15)24-10-11-25-20-18(21)12-16(14-22)13-19(20)23-4-2/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyFPJIGCZTEUXDSU-UHFFFAOYSA-N
MW362.85 g/mol
LogP4.96
Rot. Bonds10

About 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde

3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde (PubChem CID 22680981) has the molecular formula C20H23ClO4 and a molecular weight of 362.85 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
PubChem CID22680981
Molecular FormulaC20H23ClO4
Molecular Weight362.85 g/mol
Exact Mass362.13
IUPAC Name3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
SMILESCCCc1ccc(OCCOc2c(Cl)cc(C=O)cc2OCC)cc1
InChIInChI=1S/C20H23ClO4/c1-3-5-15-6-8-17(9-7-15)24-10-11-25-20-18(21)12-16(14-22)13-19(20)23-4-2/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyFPJIGCZTEUXDSU-UHFFFAOYSA-N
XLogP4.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 54.96
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 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]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-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20992812
3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]benzaldehyde
CID 22684417
3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
CID 22682955
N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22686275
3-chloro-5-ethoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzaldehyde
CID 2228014
4-[3-(4-chlorophenoxy)propoxy]-3-ethoxy-5-iodobenzaldehyde
CID 2219736
3-chloro-5-methoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzaldehyde
CID 22683491
4-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-chloro-5-ethoxybenzaldehyde
CID 20988300
5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20988288
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde (CID 22680981) is 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde is CCCc1ccc(OCCOc2c(Cl)cc(C=O)cc2OCC)cc1.
What is the InChIKey of 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
The InChIKey is FPJIGCZTEUXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClO4/c1-3-5-15-6-8-17(9-7-15)24-10-11-25-20-18(21)12-16(14-22)13-19(20)23-4-2/h6-9,12-14H,3-5,10-11H2,1-2H3.
What are the key properties of 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde?
3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde has a molecular weight of 362.85 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 22680981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).