CID 134831452

C8H8O+ — CID 134831452

IUPAC—
SMILES[CH2]/C=[O+]/c1ccccc1
InChIInChI=1S/C8H8O/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2/q+1
InChIKeyIVNCFQLMFMCQNO-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.97
Rot. Bonds1

About CID 134831452

CID 134831452 (PubChem CID 134831452) has the molecular formula C8H8O+ and a molecular weight of 120.15 g/mol.

Molecular Properties

Compound NameCID 134831452
PubChem CID134831452
Molecular FormulaC8H8O+
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name—
SMILES[CH2]/C=[O+]/c1ccccc1
InChIInChI=1S/C8H8O/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2/q+1
InChIKeyIVNCFQLMFMCQNO-UHFFFAOYSA-N
XLogP1.97
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Phenolate Sodium
CID 4445035
Hydron phenoxide
CID 20488062
Phenyl vinyl ether
CID 69840
Potassium phenoxide
CID 23670670
Triethylphenoxystannane
CID 16682829
Formaldehyde, reaction products with Bu alcohol and phenol
CID 175684
Lithium phenoxide
CID 11815295
Ammonium phenolate
CID 80075
formaldehyde, polymer with phenol, calcium salt
CID 44151932
Phenolate
CID 119047
Formaldehyde, polymer with methanol and phenol
CID 44146383
Diethyl phenyl phosphite
CID 298831

Frequently Asked Questions

What is the IUPAC name of CID 134831452?
The IUPAC name of CID 134831452 (CID 134831452) is not available.
What is the SMILES notation for CID 134831452?
The canonical SMILES for CID 134831452 is [CH2]/C=[O+]/c1ccccc1.
What is the InChIKey of CID 134831452?
The InChIKey is IVNCFQLMFMCQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2/q+1.
What are the key properties of CID 134831452?
CID 134831452 has a molecular weight of 120.15 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134831452 is sourced from PubChem (CID 134831452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).