3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde

C15H12ClFO2 — CID 90423669

IUPAC3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde
SMILESCCOc1cc(C=O)cc(Cl)c1-c1ccc(F)cc1
InChIInChI=1S/C15H12ClFO2/c1-2-19-14-8-10(9-18)7-13(16)15(14)11-3-5-12(17)6-4-11/h3-9H,2H2,1H3
InChIKeyZOHMHJAXPQOUSX-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.36
Rot. Bonds4

About 3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde

3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde (PubChem CID 90423669) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde
PubChem CID90423669
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde
SMILESCCOc1cc(C=O)cc(Cl)c1-c1ccc(F)cc1
InChIInChI=1S/C15H12ClFO2/c1-2-19-14-8-10(9-18)7-13(16)15(14)11-3-5-12(17)6-4-11/h3-9H,2H2,1H3
InChIKeyZOHMHJAXPQOUSX-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-ethoxy-4-fluorobenzaldehyde
CID 164895508
3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
CID 22682955
3,5-diethoxy-4-(4-fluorophenyl)-2-iodobenzaldehyde
CID 90423072
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 66528859
3,4-diethoxy-2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde
CID 23352439
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
(2-bromo-6-ethoxy-4-formylphenyl) 4-fluorobenzoate
CID 4766712
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009841
3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]benzaldehyde
CID 22684417
N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 137079049
4-(2-ethoxyphenyl)benzaldehyde
CID 62801534

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde?
The IUPAC name of 3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde (CID 90423669) is 3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde.
What is the SMILES notation for 3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde?
The canonical SMILES for 3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde is CCOc1cc(C=O)cc(Cl)c1-c1ccc(F)cc1.
What is the InChIKey of 3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde?
The InChIKey is ZOHMHJAXPQOUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-2-19-14-8-10(9-18)7-13(16)15(14)11-3-5-12(17)6-4-11/h3-9H,2H2,1H3.
What are the key properties of 3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde?
3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde has a molecular weight of 278.71 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde is sourced from PubChem (CID 90423669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).