2-methyl-5-phenyl-2H-furan-5-carbaldehyde

C12H12O2 — CID 86646372

IUPAC2-methyl-5-phenyl-2H-furan-5-carbaldehyde
SMILESCC1C=CC(C=O)(c2ccccc2)O1
InChIInChI=1S/C12H12O2/c1-10-7-8-12(9-13,14-10)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyYCGJRDHRGFDVSV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.06
Rot. Bonds2

About 2-methyl-5-phenyl-2H-furan-5-carbaldehyde

2-methyl-5-phenyl-2H-furan-5-carbaldehyde (PubChem CID 86646372) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-5-phenyl-2H-furan-5-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-phenyl-2H-furan-5-carbaldehyde
PubChem CID86646372
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-methyl-5-phenyl-2H-furan-5-carbaldehyde
SMILESCC1C=CC(C=O)(c2ccccc2)O1
InChIInChI=1S/C12H12O2/c1-10-7-8-12(9-13,14-10)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyYCGJRDHRGFDVSV-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-2H-furan-5-carbaldehyde?
The IUPAC name of 2-methyl-5-phenyl-2H-furan-5-carbaldehyde (CID 86646372) is 2-methyl-5-phenyl-2H-furan-5-carbaldehyde.
What is the SMILES notation for 2-methyl-5-phenyl-2H-furan-5-carbaldehyde?
The canonical SMILES for 2-methyl-5-phenyl-2H-furan-5-carbaldehyde is CC1C=CC(C=O)(c2ccccc2)O1.
What is the InChIKey of 2-methyl-5-phenyl-2H-furan-5-carbaldehyde?
The InChIKey is YCGJRDHRGFDVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-10-7-8-12(9-13,14-10)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 2-methyl-5-phenyl-2H-furan-5-carbaldehyde?
2-methyl-5-phenyl-2H-furan-5-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-2H-furan-5-carbaldehyde is sourced from PubChem (CID 86646372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).