5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde

C13H11FO3 — CID 169333423

IUPAC5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
SMILESCCOc1ccc(-c2ccc(C=O)o2)cc1F
InChIInChI=1S/C13H11FO3/c1-2-16-13-5-3-9(7-11(13)14)12-6-4-10(8-15)17-12/h3-8H,2H2,1H3
InChIKeyFJUGJLQQBFJRKO-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.30
Rot. Bonds4

About 5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde

5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde (PubChem CID 169333423) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
PubChem CID169333423
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
SMILESCCOc1ccc(-c2ccc(C=O)o2)cc1F
InChIInChI=1S/C13H11FO3/c1-2-16-13-5-3-9(7-11(13)14)12-6-4-10(8-15)17-12/h3-8H,2H2,1H3
InChIKeyFJUGJLQQBFJRKO-UHFFFAOYSA-N
XLogP3.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.30
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-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
CID 145228205
5-[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]furan-2-carbaldehyde
CID 169334199
5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde
CID 169334720
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate
CID 169333225
5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde
CID 82480842
5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335432
5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde
CID 169335433
5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
CID 169333111
5-(4-pentoxyphenyl)furan-2-carbaldehyde
CID 169333298

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde (CID 169333423) is 5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde is CCOc1ccc(-c2ccc(C=O)o2)cc1F.
What is the InChIKey of 5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde?
The InChIKey is FJUGJLQQBFJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c1-2-16-13-5-3-9(7-11(13)14)12-6-4-10(8-15)17-12/h3-8H,2H2,1H3.
What are the key properties of 5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde?
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde has a molecular weight of 234.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).