3H-2-benzofuran-1-ylideneoxidanium

C8H7O2+ — CID 153222754

IUPAC3H-2-benzofuran-1-ylideneoxidanium
SMILES[H]/[O+]=C1\OCc2ccccc21
InChIInChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2/p+1
InChIKeyWNZQDUSMALZDQF-UHFFFAOYSA-O
MW135.14 g/mol
LogP1.07
Rot. Bonds

About 3H-2-benzofuran-1-ylideneoxidanium

3H-2-benzofuran-1-ylideneoxidanium (PubChem CID 153222754) has the molecular formula C8H7O2+ and a molecular weight of 135.14 g/mol. Its IUPAC name is 3H-2-benzofuran-1-ylideneoxidanium.

Molecular Properties

Compound Name3H-2-benzofuran-1-ylideneoxidanium
PubChem CID153222754
Molecular FormulaC8H7O2+
Molecular Weight135.14 g/mol
Exact Mass135.04
IUPAC Name3H-2-benzofuran-1-ylideneoxidanium
SMILES[H]/[O+]=C1\OCc2ccccc21
InChIInChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2/p+1
InChIKeyWNZQDUSMALZDQF-UHFFFAOYSA-O
XLogP1.07
TPSA30.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 138984815
CID 138984815
6H-benzo[c]chromene;hydrobromide
CID 70547533
3H-2-benzofuran-1-one;ethane
CID 90991348
sodium;3H-2-benzofuran-1-one;chloride
CID 174937502
3H-2-benzofuran-1-one;phenoxybenzene
CID 19981145
(11Z)-11-(bromomethylidene)-6H-benzo[c][1]benzoxepine
CID 69273188
benzhydrylbenzene;3H-2-benzofuran-1-one
CID 66609148
(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine
CID 142906679
benzene;benzene-1,3-diol;3H-2-benzofuran-1-one
CID 70600713
(2E)-2-(3H-2-benzofuran-1-ylidene)propanenitrile
CID 10103594
(1S,2S,4S,5S)-3,6-bis(3H-2-benzofuran-1-ylidene)bicyclo[2.2.1]heptane-2,5-diamine
CID 66733653
1,6-dihydrobenzo[c]chromen-2-one
CID 69302656

Frequently Asked Questions

What is the IUPAC name of 3H-2-benzofuran-1-ylideneoxidanium?
The IUPAC name of 3H-2-benzofuran-1-ylideneoxidanium (CID 153222754) is 3H-2-benzofuran-1-ylideneoxidanium.
What is the SMILES notation for 3H-2-benzofuran-1-ylideneoxidanium?
The canonical SMILES for 3H-2-benzofuran-1-ylideneoxidanium is [H]/[O+]=C1\OCc2ccccc21.
What is the InChIKey of 3H-2-benzofuran-1-ylideneoxidanium?
The InChIKey is WNZQDUSMALZDQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2/p+1.
What are the key properties of 3H-2-benzofuran-1-ylideneoxidanium?
3H-2-benzofuran-1-ylideneoxidanium has a molecular weight of 135.14 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-2-benzofuran-1-ylideneoxidanium is sourced from PubChem (CID 153222754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).