(2-hydroxynaphthalen-1-yl)oxy-oxooxidanium

C10H7O4+ — CID 91550441

IUPAC(2-hydroxynaphthalen-1-yl)oxy-oxooxidanium
SMILESO=[O+]Oc1c(O)ccc2ccccc12
InChIInChI=1S/C10H6O4/c11-9-6-5-7-3-1-2-4-8(7)10(9)13-14-12/h1-6H/p+1
InChIKeyQFXSZASPCUFHPV-UHFFFAOYSA-O
MW191.16 g/mol
LogP2.46
Rot. Bonds2

About (2-hydroxynaphthalen-1-yl)oxy-oxooxidanium

(2-hydroxynaphthalen-1-yl)oxy-oxooxidanium (PubChem CID 91550441) has the molecular formula C10H7O4+ and a molecular weight of 191.16 g/mol. Its IUPAC name is (2-hydroxynaphthalen-1-yl)oxy-oxooxidanium.

Molecular Properties

Compound Name(2-hydroxynaphthalen-1-yl)oxy-oxooxidanium
PubChem CID91550441
Molecular FormulaC10H7O4+
Molecular Weight191.16 g/mol
Exact Mass191.03
IUPAC Name(2-hydroxynaphthalen-1-yl)oxy-oxooxidanium
SMILESO=[O+]Oc1c(O)ccc2ccccc12
InChIInChI=1S/C10H6O4/c11-9-6-5-7-3-1-2-4-8(7)10(9)13-14-12/h1-6H/p+1
InChIKeyQFXSZASPCUFHPV-UHFFFAOYSA-O
XLogP2.46
TPSA57.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxynaphthalen-1-yl)oxy-oxooxidanium?
The IUPAC name of (2-hydroxynaphthalen-1-yl)oxy-oxooxidanium (CID 91550441) is (2-hydroxynaphthalen-1-yl)oxy-oxooxidanium.
What is the SMILES notation for (2-hydroxynaphthalen-1-yl)oxy-oxooxidanium?
The canonical SMILES for (2-hydroxynaphthalen-1-yl)oxy-oxooxidanium is O=[O+]Oc1c(O)ccc2ccccc12.
What is the InChIKey of (2-hydroxynaphthalen-1-yl)oxy-oxooxidanium?
The InChIKey is QFXSZASPCUFHPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H6O4/c11-9-6-5-7-3-1-2-4-8(7)10(9)13-14-12/h1-6H/p+1.
What are the key properties of (2-hydroxynaphthalen-1-yl)oxy-oxooxidanium?
(2-hydroxynaphthalen-1-yl)oxy-oxooxidanium has a molecular weight of 191.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxynaphthalen-1-yl)oxy-oxooxidanium is sourced from PubChem (CID 91550441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).