5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde

C12H9FO3 — CID 107169605

IUPAC5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde
SMILESCc1ccc(Oc2ccc(C=O)o2)cc1F
InChIInChI=1S/C12H9FO3/c1-8-2-3-9(6-11(8)13)15-12-5-4-10(7-14)16-12/h2-7H,1H3
InChIKeyDKHQQCQPWNHHHY-UHFFFAOYSA-N
MW220.20 g/mol
LogP3.33
Rot. Bonds3

About 5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde

5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde (PubChem CID 107169605) has the molecular formula C12H9FO3 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde
PubChem CID107169605
Molecular FormulaC12H9FO3
Molecular Weight220.20 g/mol
Exact Mass220.05
IUPAC Name5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde
SMILESCc1ccc(Oc2ccc(C=O)o2)cc1F
InChIInChI=1S/C12H9FO3/c1-8-2-3-9(6-11(8)13)15-12-5-4-10(7-14)16-12/h2-7H,1H3
InChIKeyDKHQQCQPWNHHHY-UHFFFAOYSA-N
XLogP3.33
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde?
The IUPAC name of 5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde (CID 107169605) is 5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde is Cc1ccc(Oc2ccc(C=O)o2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde?
The InChIKey is DKHQQCQPWNHHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO3/c1-8-2-3-9(6-11(8)13)15-12-5-4-10(7-14)16-12/h2-7H,1H3.
What are the key properties of 5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde?
5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde has a molecular weight of 220.20 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde is sourced from PubChem (CID 107169605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).