(4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium

C6H7O2+ — CID 101423418

IUPAC(4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium
SMILES[H][O+]=C1C=CC(O)C=C1
InChIInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-5,7H/p+1
InChIKeyZHIJXDCTUKJHPK-UHFFFAOYSA-O
MW111.12 g/mol
LogP0.02
Rot. Bonds

About (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium

(4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium (PubChem CID 101423418) has the molecular formula C6H7O2+ and a molecular weight of 111.12 g/mol. Its IUPAC name is (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium.

Molecular Properties

Compound Name(4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium
PubChem CID101423418
Molecular FormulaC6H7O2+
Molecular Weight111.12 g/mol
Exact Mass111.04
IUPAC Name(4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium
SMILES[H][O+]=C1C=CC(O)C=C1
InChIInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-5,7H/p+1
InChIKeyZHIJXDCTUKJHPK-UHFFFAOYSA-O
XLogP0.02
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium 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 (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium?
The IUPAC name of (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium (CID 101423418) is (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium.
What is the SMILES notation for (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium?
The canonical SMILES for (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium is [H][O+]=C1C=CC(O)C=C1.
What is the InChIKey of (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium?
The InChIKey is ZHIJXDCTUKJHPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-5,7H/p+1.
What are the key properties of (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium?
(4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium has a molecular weight of 111.12 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexa-2,5-dien-1-ylidene)oxidanium is sourced from PubChem (CID 101423418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).