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

C18H13FO2 — CID 169332976

IUPAC5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
SMILESCc1ccc(-c2cccc(-c3ccc(C=O)o3)c2)cc1F
InChIInChI=1S/C18H13FO2/c1-12-5-6-14(10-17(12)19)13-3-2-4-15(9-13)18-8-7-16(11-20)21-18/h2-11H,1H3
InChIKeyIZBXVXZPRBYFDJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.87
Rot. Bonds3

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

5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde (PubChem CID 169332976) has the molecular formula C18H13FO2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
PubChem CID169332976
Molecular FormulaC18H13FO2
Molecular Weight280.30 g/mol
Exact Mass280.09
IUPAC Name5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
SMILESCc1ccc(-c2cccc(-c3ccc(C=O)o3)c2)cc1F
InChIInChI=1S/C18H13FO2/c1-12-5-6-14(10-17(12)19)13-3-2-4-15(9-13)18-8-7-16(11-20)21-18/h2-11H,1H3
InChIKeyIZBXVXZPRBYFDJ-UHFFFAOYSA-N
XLogP4.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[3-(3-fluoro-4-methylphenyl)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-(4-methylsulfanylphenyl)phenyl]furan-2-carbaldehyde
CID 169332998
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169335271
5-[3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169334414
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
CID 169335264
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169333082
5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169334086
N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide
CID 169332496

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde (CID 169332976) is 5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde is Cc1ccc(-c2cccc(-c3ccc(C=O)o3)c2)cc1F.
What is the InChIKey of 5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde?
The InChIKey is IZBXVXZPRBYFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO2/c1-12-5-6-14(10-17(12)19)13-3-2-4-15(9-13)18-8-7-16(11-20)21-18/h2-11H,1H3.
What are the key properties of 5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde?
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde has a molecular weight of 280.30 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).