(4-formylphenyl)methylidene-methyloxidanium

C9H9O2+ — CID 101398859

IUPAC(4-formylphenyl)methylidene-methyloxidanium
SMILESC/[O+]=C/c1ccc(C=O)cc1
InChIInChI=1S/C9H9O2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-7H,1H3/q+1
InChIKeyNYAOZVHPWYJUQP-UHFFFAOYSA-N
MW149.17 g/mol
LogP1.48
Rot. Bonds2

About (4-formylphenyl)methylidene-methyloxidanium

(4-formylphenyl)methylidene-methyloxidanium (PubChem CID 101398859) has the molecular formula C9H9O2+ and a molecular weight of 149.17 g/mol. Its IUPAC name is (4-formylphenyl)methylidene-methyloxidanium.

Molecular Properties

Compound Name(4-formylphenyl)methylidene-methyloxidanium
PubChem CID101398859
Molecular FormulaC9H9O2+
Molecular Weight149.17 g/mol
Exact Mass149.06
IUPAC Name(4-formylphenyl)methylidene-methyloxidanium
SMILESC/[O+]=C/c1ccc(C=O)cc1
InChIInChI=1S/C9H9O2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-7H,1H3/q+1
InChIKeyNYAOZVHPWYJUQP-UHFFFAOYSA-N
XLogP1.48
TPSA28.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of (4-formylphenyl)methylidene-methyloxidanium?
The IUPAC name of (4-formylphenyl)methylidene-methyloxidanium (CID 101398859) is (4-formylphenyl)methylidene-methyloxidanium.
What is the SMILES notation for (4-formylphenyl)methylidene-methyloxidanium?
The canonical SMILES for (4-formylphenyl)methylidene-methyloxidanium is C/[O+]=C/c1ccc(C=O)cc1.
What is the InChIKey of (4-formylphenyl)methylidene-methyloxidanium?
The InChIKey is NYAOZVHPWYJUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-7H,1H3/q+1.
What are the key properties of (4-formylphenyl)methylidene-methyloxidanium?
(4-formylphenyl)methylidene-methyloxidanium has a molecular weight of 149.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenyl)methylidene-methyloxidanium is sourced from PubChem (CID 101398859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).