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

C17H16ClFO4 — CID 22682955

IUPAC3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
SMILESCCOc1cc(C=O)cc(Cl)c1OCCOc1ccc(F)cc1
InChIInChI=1S/C17H16ClFO4/c1-2-21-16-10-12(11-20)9-15(18)17(16)23-8-7-22-14-5-3-13(19)4-6-14/h3-6,9-11H,2,7-8H2,1H3
InChIKeySILISOVEEFGQFE-UHFFFAOYSA-N
MW338.76 g/mol
LogP4.15
Rot. Bonds8

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

3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde (PubChem CID 22682955) has the molecular formula C17H16ClFO4 and a molecular weight of 338.76 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
PubChem CID22682955
Molecular FormulaC17H16ClFO4
Molecular Weight338.76 g/mol
Exact Mass338.07
IUPAC Name3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
SMILESCCOc1cc(C=O)cc(Cl)c1OCCOc1ccc(F)cc1
InChIInChI=1S/C17H16ClFO4/c1-2-21-16-10-12(11-20)9-15(18)17(16)23-8-7-22-14-5-3-13(19)4-6-14/h3-6,9-11H,2,7-8H2,1H3
InChIKeySILISOVEEFGQFE-UHFFFAOYSA-N
XLogP4.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 54.15
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'}

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Related Compounds

3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]benzaldehyde
CID 22684417
3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 22680981
3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde
CID 90423669
3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20992812
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
3-chloro-5-ethoxy-4-fluorobenzaldehyde
CID 164895508
4-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-chloro-5-ethoxybenzaldehyde
CID 20988300
N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22686275
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
3-chloro-5-ethoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzaldehyde
CID 2228014
(5Z)-5-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 126057987

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde (CID 22682955) is 3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde is CCOc1cc(C=O)cc(Cl)c1OCCOc1ccc(F)cc1.
What is the InChIKey of 3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde?
The InChIKey is SILISOVEEFGQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO4/c1-2-21-16-10-12(11-20)9-15(18)17(16)23-8-7-22-14-5-3-13(19)4-6-14/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde?
3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde has a molecular weight of 338.76 g/mol, XLogP of 4.15, 8 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-fluorophenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 22682955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).