(4-formylphenyl)-methylideneoxidanium

C8H7O2+ — CID 22960010

IUPAC(4-formylphenyl)-methylideneoxidanium
SMILESC=[O+]c1ccc(C=O)cc1
InChIInChI=1S/C8H7O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H2/q+1
InChIKeyVSTSPRJMVIOXJM-UHFFFAOYSA-N
MW135.14 g/mol
LogP1.58
Rot. Bonds2

About (4-formylphenyl)-methylideneoxidanium

(4-formylphenyl)-methylideneoxidanium (PubChem CID 22960010) has the molecular formula C8H7O2+ and a molecular weight of 135.14 g/mol. Its IUPAC name is (4-formylphenyl)-methylideneoxidanium.

Molecular Properties

Compound Name(4-formylphenyl)-methylideneoxidanium
PubChem CID22960010
Molecular FormulaC8H7O2+
Molecular Weight135.14 g/mol
Exact Mass135.04
IUPAC Name(4-formylphenyl)-methylideneoxidanium
SMILESC=[O+]c1ccc(C=O)cc1
InChIInChI=1S/C8H7O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H2/q+1
InChIKeyVSTSPRJMVIOXJM-UHFFFAOYSA-N
XLogP1.58
TPSA28.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;terephthalaldehyde
CID 163498156
carbon monoxide;chromium;terephthalaldehyde
CID 11108406
4-aminobenzaldehyde;ethene
CID 22154861
(4-formylphenyl)methylidene-methyloxidanium
CID 101398859
4-chlorobenzaldehyde
CID 7726
benzaldehyde;ethene
CID 22005957
4-aminobenzaldehyde
CID 174906134
ethane;4-ethenylbenzaldehyde;methanol
CID 145257889
bis(4-bromobenzaldehyde);hydrate
CID 174866505
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
sodium;hydride;4-methylbenzaldehyde
CID 173013137
sodium;benzaldehyde;formaldehyde;hydride
CID 173317417

Frequently Asked Questions

What is the IUPAC name of (4-formylphenyl)-methylideneoxidanium?
The IUPAC name of (4-formylphenyl)-methylideneoxidanium (CID 22960010) is (4-formylphenyl)-methylideneoxidanium.
What is the SMILES notation for (4-formylphenyl)-methylideneoxidanium?
The canonical SMILES for (4-formylphenyl)-methylideneoxidanium is C=[O+]c1ccc(C=O)cc1.
What is the InChIKey of (4-formylphenyl)-methylideneoxidanium?
The InChIKey is VSTSPRJMVIOXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H2/q+1.
What are the key properties of (4-formylphenyl)-methylideneoxidanium?
(4-formylphenyl)-methylideneoxidanium has a molecular weight of 135.14 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenyl)-methylideneoxidanium is sourced from PubChem (CID 22960010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).