5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde

C17H11FO3 — CID 169334086

IUPAC5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Oc3ccc(F)cc3)c2)o1
InChIInChI=1S/C17H11FO3/c18-13-4-6-14(7-5-13)20-15-3-1-2-12(10-15)17-9-8-16(11-19)21-17/h1-11H
InChIKeyCMACOEXSSVXLSN-UHFFFAOYSA-N
MW282.27 g/mol
LogP4.69
Rot. Bonds4

About 5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde

5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169334086) has the molecular formula C17H11FO3 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde
PubChem CID169334086
Molecular FormulaC17H11FO3
Molecular Weight282.27 g/mol
Exact Mass282.07
IUPAC Name5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Oc3ccc(F)cc3)c2)o1
InChIInChI=1S/C17H11FO3/c18-13-4-6-14(7-5-13)20-15-3-1-2-12(10-15)17-9-8-16(11-19)21-17/h1-11H
InChIKeyCMACOEXSSVXLSN-UHFFFAOYSA-N
XLogP4.69
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169333082
5-(3-pyridin-2-yloxyphenyl)furan-2-carbaldehyde
CID 169333182
5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde
CID 169334590
5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde
CID 106886623
5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde
CID 169334067
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile
CID 169331994
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde
CID 169333830
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
5-[3-(4-methylsulfanylphenyl)phenyl]furan-2-carbaldehyde
CID 169332998
2-[3-(4-fluorophenoxy)phenyl]acetaldehyde
CID 170962590

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde (CID 169334086) is 5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(Oc3ccc(F)cc3)c2)o1.
What is the InChIKey of 5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is CMACOEXSSVXLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO3/c18-13-4-6-14(7-5-13)20-15-3-1-2-12(10-15)17-9-8-16(11-19)21-17/h1-11H.
What are the key properties of 5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde?
5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 282.27 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).