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

C15H15FO3 — CID 169334432

IUPAC5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
SMILESCC(C)COc1ccc(-c2ccc(C=O)o2)cc1F
InChIInChI=1S/C15H15FO3/c1-10(2)9-18-15-5-3-11(7-13(15)16)14-6-4-12(8-17)19-14/h3-8,10H,9H2,1-2H3
InChIKeyFJUYUPNCFBCSKP-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.93
Rot. Bonds5

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

5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169334432) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
PubChem CID169334432
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
SMILESCC(C)COc1ccc(-c2ccc(C=O)o2)cc1F
InChIInChI=1S/C15H15FO3/c1-10(2)9-18-15-5-3-11(7-13(15)16)14-6-4-12(8-17)19-14/h3-8,10H,9H2,1-2H3
InChIKeyFJUYUPNCFBCSKP-UHFFFAOYSA-N
XLogP3.93
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.93
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-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
5-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]furan-2-carbaldehyde
CID 169334720
5-[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]furan-2-carbaldehyde
CID 169334199
2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809365
5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335432
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
CID 145228205
methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate
CID 169333225
5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
4-ethenyl-2-fluoro-1-(2-methylpropoxy)benzene
CID 154824759
5-[[3-fluoro-4-(2-methylpropoxy)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168539310

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde (CID 169334432) is 5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde is CC(C)COc1ccc(-c2ccc(C=O)o2)cc1F.
What is the InChIKey of 5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is FJUYUPNCFBCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3/c1-10(2)9-18-15-5-3-11(7-13(15)16)14-6-4-12(8-17)19-14/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde?
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 262.28 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).