5-phenylfuran-2-carbaldehyde

C11H8O2 — CID 2769420

IUPAC5-phenylfuran-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C11H8O2/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H
InChIKeyBMJHNNPEPBZULA-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.76
Rot. Bonds2

About 5-phenylfuran-2-carbaldehyde

5-phenylfuran-2-carbaldehyde (PubChem CID 2769420) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5-phenylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-phenylfuran-2-carbaldehyde
PubChem CID2769420
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name5-phenylfuran-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C11H8O2/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H
InChIKeyBMJHNNPEPBZULA-UHFFFAOYSA-N
XLogP2.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylfuran-2-carbaldehyde?
The IUPAC name of 5-phenylfuran-2-carbaldehyde (CID 2769420) is 5-phenylfuran-2-carbaldehyde.
What is the SMILES notation for 5-phenylfuran-2-carbaldehyde?
The canonical SMILES for 5-phenylfuran-2-carbaldehyde is O=Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of 5-phenylfuran-2-carbaldehyde?
The InChIKey is BMJHNNPEPBZULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-phenylfuran-2-carbaldehyde?
5-phenylfuran-2-carbaldehyde has a molecular weight of 172.18 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylfuran-2-carbaldehyde is sourced from PubChem (CID 2769420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).