1-benzofuran-2-yloxy(dioxido)borane

C8H5BO4-2 — CID 86756846

IUPAC1-benzofuran-2-yloxy(dioxido)borane
SMILES[O-]B([O-])Oc1cc2ccccc2o1
InChIInChI=1S/C8H5BO4/c10-9(11)13-8-5-6-3-1-2-4-7(6)12-8/h1-5H/q-2
InChIKeyPBRYWEZTCJBCHX-UHFFFAOYSA-N
MW175.94 g/mol
LogP-0.48
Rot. Bonds2

About 1-benzofuran-2-yloxy(dioxido)borane

1-benzofuran-2-yloxy(dioxido)borane (PubChem CID 86756846) has the molecular formula C8H5BO4-2 and a molecular weight of 175.94 g/mol. Its IUPAC name is 1-benzofuran-2-yloxy(dioxido)borane.

Molecular Properties

Compound Name1-benzofuran-2-yloxy(dioxido)borane
PubChem CID86756846
Molecular FormulaC8H5BO4-2
Molecular Weight175.94 g/mol
Exact Mass176.03
IUPAC Name1-benzofuran-2-yloxy(dioxido)borane
SMILES[O-]B([O-])Oc1cc2ccccc2o1
InChIInChI=1S/C8H5BO4/c10-9(11)13-8-5-6-3-1-2-4-7(6)12-8/h1-5H/q-2
InChIKeyPBRYWEZTCJBCHX-UHFFFAOYSA-N
XLogP-0.48
TPSA68.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.94
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-ynoxy-1-benzofuran
CID 20526766
1-benzofuran-2-yl ethanesulfonate
CID 143690561
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-benzofuran-2-ylhydrazine
CID 114737431
1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731162
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
tripotassium;tetracene;borate
CID 158896601
CID 156725408
CID 156725408
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
5-(1-benzofuran-2-yloxymethylidene)-1,3-thiazolidine-2,4-dione
CID 91168004
2-butan-2-yl-1-benzofuran
CID 12065919
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yloxy(dioxido)borane?
The IUPAC name of 1-benzofuran-2-yloxy(dioxido)borane (CID 86756846) is 1-benzofuran-2-yloxy(dioxido)borane.
What is the SMILES notation for 1-benzofuran-2-yloxy(dioxido)borane?
The canonical SMILES for 1-benzofuran-2-yloxy(dioxido)borane is [O-]B([O-])Oc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yloxy(dioxido)borane?
The InChIKey is PBRYWEZTCJBCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BO4/c10-9(11)13-8-5-6-3-1-2-4-7(6)12-8/h1-5H/q-2.
What are the key properties of 1-benzofuran-2-yloxy(dioxido)borane?
1-benzofuran-2-yloxy(dioxido)borane has a molecular weight of 175.94 g/mol, XLogP of -0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yloxy(dioxido)borane is sourced from PubChem (CID 86756846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).