4-[2-(4-fluorophenyl)ethoxy]benzaldehyde

C15H13FO2 — CID 87614238

IUPAC4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FO2/c16-14-5-1-12(2-6-14)9-10-18-15-7-3-13(11-17)4-8-15/h1-8,11H,9-10H2
InChIKeyTXMIGGRBRKBJDH-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.26
Rot. Bonds5

About 4-[2-(4-fluorophenyl)ethoxy]benzaldehyde

4-[2-(4-fluorophenyl)ethoxy]benzaldehyde (PubChem CID 87614238) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
PubChem CID87614238
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FO2/c16-14-5-1-12(2-6-14)9-10-18-15-7-3-13(11-17)4-8-15/h1-8,11H,9-10H2
InChIKeyTXMIGGRBRKBJDH-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(4-fluorophenyl)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

4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
[4-[2-(4-formylphenoxy)ethyl]phenyl]methanesulfonate
CID 18761819
4-(2-fluoroethoxy)benzaldehyde
CID 15058649
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
4-[2-(4-formylphenoxy)ethyl]benzoic acid;4-[2-(4-formylphenoxy)ethyl]benzonitrile
CID 161255200
4-(2-phosphanylethoxy)benzaldehyde
CID 143962429
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde
CID 23291631
4-[2-(difluoromethoxy)ethoxy]benzaldehyde
CID 118384245

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethoxy]benzaldehyde?
The IUPAC name of 4-[2-(4-fluorophenyl)ethoxy]benzaldehyde (CID 87614238) is 4-[2-(4-fluorophenyl)ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethoxy]benzaldehyde is O=Cc1ccc(OCCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethoxy]benzaldehyde?
The InChIKey is TXMIGGRBRKBJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c16-14-5-1-12(2-6-14)9-10-18-15-7-3-13(11-17)4-8-15/h1-8,11H,9-10H2.
What are the key properties of 4-[2-(4-fluorophenyl)ethoxy]benzaldehyde?
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde has a molecular weight of 244.27 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethoxy]benzaldehyde is sourced from PubChem (CID 87614238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).