5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde

C15H15FO4 — CID 169334187

IUPAC5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde
SMILESCOCCCOc1cccc(F)c1-c1ccc(C=O)o1
InChIInChI=1S/C15H15FO4/c1-18-8-3-9-19-13-5-2-4-12(16)15(13)14-7-6-11(10-17)20-14/h2,4-7,10H,3,8-9H2,1H3
InChIKeyICMMZDWVZSVVEX-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.31
Rot. Bonds7

About 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde

5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169334187) has the molecular formula C15H15FO4 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde
PubChem CID169334187
Molecular FormulaC15H15FO4
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde
SMILESCOCCCOc1cccc(F)c1-c1ccc(C=O)o1
InChIInChI=1S/C15H15FO4/c1-18-8-3-9-19-13-5-2-4-12(16)15(13)14-7-6-11(10-17)20-14/h2,4-7,10H,3,8-9H2,1H3
InChIKeyICMMZDWVZSVVEX-UHFFFAOYSA-N
XLogP3.31
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde 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

5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde
CID 10081815
5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde
CID 169334993
5-[2-(2-methoxyethyl)phenyl]furan-2-carbaldehyde
CID 102907443
5-(3-fluoro-2-pyridinyl)furan-2-carbaldehyde
CID 75524954
3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179950
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
3,6-difluoro-2-(5-formylfuran-2-yl)benzoic acid
CID 169335611
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde (CID 169334187) is 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde is COCCCOc1cccc(F)c1-c1ccc(C=O)o1.
What is the InChIKey of 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is ICMMZDWVZSVVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO4/c1-18-8-3-9-19-13-5-2-4-12(16)15(13)14-7-6-11(10-17)20-14/h2,4-7,10H,3,8-9H2,1H3.
What are the key properties of 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde?
5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 278.28 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).