(2-methoxy-6-oxoniophenyl)oxidanium

C7H10O3+2 — CID 3776334

IUPAC(2-methoxy-6-oxoniophenyl)oxidanium
SMILESCOc1cccc([OH2+])c1[OH2+]
InChIInChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3/p+2
InChIKeyLPYUENQFPVNPHY-UHFFFAOYSA-P
MW142.15 g/mol
LogP0.57
Rot. Bonds1

About (2-methoxy-6-oxoniophenyl)oxidanium

(2-methoxy-6-oxoniophenyl)oxidanium (PubChem CID 3776334) has the molecular formula C7H10O3+2 and a molecular weight of 142.15 g/mol. Its IUPAC name is (2-methoxy-6-oxoniophenyl)oxidanium.

Molecular Properties

Compound Name(2-methoxy-6-oxoniophenyl)oxidanium
PubChem CID3776334
Molecular FormulaC7H10O3+2
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(2-methoxy-6-oxoniophenyl)oxidanium
SMILESCOc1cccc([OH2+])c1[OH2+]
InChIInChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3/p+2
InChIKeyLPYUENQFPVNPHY-UHFFFAOYSA-P
XLogP0.57
TPSA55.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1-methoxy-2-methyliodanuidyloxybenzene
CID 163592566
bismuth tris(2,6-dimethoxybenzenethiolate)
CID 15973660
2,6-dimethoxyaniline;ethane
CID 145233133
[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)
CID 50910386
1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene
CID 1380018
[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
CID 50911188
2-(2,6-dimethoxyphenyl)-2-hydroxypropanediamide
CID 70450290
(2,6-dimethoxyphenyl) N,N-dimethylsulfamate
CID 177459902

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-oxoniophenyl)oxidanium?
The IUPAC name of (2-methoxy-6-oxoniophenyl)oxidanium (CID 3776334) is (2-methoxy-6-oxoniophenyl)oxidanium.
What is the SMILES notation for (2-methoxy-6-oxoniophenyl)oxidanium?
The canonical SMILES for (2-methoxy-6-oxoniophenyl)oxidanium is COc1cccc([OH2+])c1[OH2+].
What is the InChIKey of (2-methoxy-6-oxoniophenyl)oxidanium?
The InChIKey is LPYUENQFPVNPHY-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3/p+2.
What are the key properties of (2-methoxy-6-oxoniophenyl)oxidanium?
(2-methoxy-6-oxoniophenyl)oxidanium has a molecular weight of 142.15 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-oxoniophenyl)oxidanium is sourced from PubChem (CID 3776334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).