4-oxo-6-phenylpyran-2-carbaldehyde

C12H8O3 — CID 10998023

IUPAC4-oxo-6-phenylpyran-2-carbaldehyde
SMILESO=Cc1cc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C12H8O3/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-8H
InChIKeyAINQQVKJUCUNJE-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.12
Rot. Bonds2

About 4-oxo-6-phenylpyran-2-carbaldehyde

4-oxo-6-phenylpyran-2-carbaldehyde (PubChem CID 10998023) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-oxo-6-phenylpyran-2-carbaldehyde.

Molecular Properties

Compound Name4-oxo-6-phenylpyran-2-carbaldehyde
PubChem CID10998023
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name4-oxo-6-phenylpyran-2-carbaldehyde
SMILESO=Cc1cc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C12H8O3/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-8H
InChIKeyAINQQVKJUCUNJE-UHFFFAOYSA-N
XLogP2.12
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dracorhodin
CID 69509
2-Methyl-6-phenyl-4H-pyran-4-one
CID 120521
2,6-Diphenyl-4H-pyran-4-one
CID 283227
6-phenyl-5,6-dihydro-2H-pyran-2-one
CID 11105852
3-Benzyloxy-2-methyl-4-pyrone
CID 1490119
6-phenyl-2H-pyran-2-one
CID 5162569
5-(benzyloxy)-2-(hydroxymethyl)-4H-pyran-4-one
CID 901598
(Phenylmethoxy)acetaldehyde
CID 108989
1-(Benzyloxy)propan-2-one
CID 3691284
(3-Oxo-5-phenyl-3H-furan-2-ylidene)-acetic acid methyl ester
CID 703030
Bullatenone
CID 100464
5-Methoxy-2-phenyl-7H-1-benzopyran-7-one
CID 610735

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-phenylpyran-2-carbaldehyde?
The IUPAC name of 4-oxo-6-phenylpyran-2-carbaldehyde (CID 10998023) is 4-oxo-6-phenylpyran-2-carbaldehyde.
What is the SMILES notation for 4-oxo-6-phenylpyran-2-carbaldehyde?
The canonical SMILES for 4-oxo-6-phenylpyran-2-carbaldehyde is O=Cc1cc(=O)cc(-c2ccccc2)o1.
What is the InChIKey of 4-oxo-6-phenylpyran-2-carbaldehyde?
The InChIKey is AINQQVKJUCUNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4-oxo-6-phenylpyran-2-carbaldehyde?
4-oxo-6-phenylpyran-2-carbaldehyde has a molecular weight of 200.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-phenylpyran-2-carbaldehyde is sourced from PubChem (CID 10998023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).