ethane;5-phenylfuran-3-carbaldehyde

C15H20O2 — CID 143257952

IUPACethane;5-phenylfuran-3-carbaldehyde
SMILESCC.CC.O=Cc1coc(-c2ccccc2)c1
InChIInChI=1S/C11H8O2.2C2H6/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10;2*1-2/h1-8H;2*1-2H3
InChIKeyYHXJXDXVNSJCAI-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.81
Rot. Bonds2

About ethane;5-phenylfuran-3-carbaldehyde

ethane;5-phenylfuran-3-carbaldehyde (PubChem CID 143257952) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethane;5-phenylfuran-3-carbaldehyde.

Molecular Properties

Compound Nameethane;5-phenylfuran-3-carbaldehyde
PubChem CID143257952
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethane;5-phenylfuran-3-carbaldehyde
SMILESCC.CC.O=Cc1coc(-c2ccccc2)c1
InChIInChI=1S/C11H8O2.2C2H6/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10;2*1-2/h1-8H;2*1-2H3
InChIKeyYHXJXDXVNSJCAI-UHFFFAOYSA-N
XLogP4.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;5-phenylfuran-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-phenylfuran-3-carbaldehyde?
The IUPAC name of ethane;5-phenylfuran-3-carbaldehyde (CID 143257952) is ethane;5-phenylfuran-3-carbaldehyde.
What is the SMILES notation for ethane;5-phenylfuran-3-carbaldehyde?
The canonical SMILES for ethane;5-phenylfuran-3-carbaldehyde is CC.CC.O=Cc1coc(-c2ccccc2)c1.
What is the InChIKey of ethane;5-phenylfuran-3-carbaldehyde?
The InChIKey is YHXJXDXVNSJCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.2C2H6/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10;2*1-2/h1-8H;2*1-2H3.
What are the key properties of ethane;5-phenylfuran-3-carbaldehyde?
ethane;5-phenylfuran-3-carbaldehyde has a molecular weight of 232.32 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-phenylfuran-3-carbaldehyde is sourced from PubChem (CID 143257952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).