(5-propoxy-1-benzofuran-2-yl)oxyboronic acid

C11H13BO5 — CID 54485072

IUPAC(5-propoxy-1-benzofuran-2-yl)oxyboronic acid
SMILESCCCOc1ccc2oc(OB(O)O)cc2c1
InChIInChI=1S/C11H13BO5/c1-2-5-15-9-3-4-10-8(6-9)7-11(16-10)17-12(13)14/h3-4,6-7,13-14H,2,5H2,1H3
InChIKeyXRSKFTPSHVSTKV-UHFFFAOYSA-N
MW236.03 g/mol
LogP1.57
Rot. Bonds5

About (5-propoxy-1-benzofuran-2-yl)oxyboronic acid

(5-propoxy-1-benzofuran-2-yl)oxyboronic acid (PubChem CID 54485072) has the molecular formula C11H13BO5 and a molecular weight of 236.03 g/mol. Its IUPAC name is (5-propoxy-1-benzofuran-2-yl)oxyboronic acid.

Molecular Properties

Compound Name(5-propoxy-1-benzofuran-2-yl)oxyboronic acid
PubChem CID54485072
Molecular FormulaC11H13BO5
Molecular Weight236.03 g/mol
Exact Mass236.09
IUPAC Name(5-propoxy-1-benzofuran-2-yl)oxyboronic acid
SMILESCCCOc1ccc2oc(OB(O)O)cc2c1
InChIInChI=1S/C11H13BO5/c1-2-5-15-9-3-4-10-8(6-9)7-11(16-10)17-12(13)14/h3-4,6-7,13-14H,2,5H2,1H3
InChIKeyXRSKFTPSHVSTKV-UHFFFAOYSA-N
XLogP1.57
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.03
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438287
N,2-dimethyl-1-(5-propoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438476
5-butoxy-1-benzofuran-2-carboxylic acid
CID 67998736
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
2-chloro-6-propoxynaphthalene
CID 125116367
(3-chloro-4-propoxyphenoxy)boronic acid
CID 142765671
(4-decoxyphenoxy)boronic acid
CID 54526800
(4-pentadecoxyphenoxy)boronic acid
CID 142763909
ethane;methylidenevanadium;2-methyl-5-propoxy-1-benzothiophene
CID 143693088
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
3-hydroxy-6-(3-hydroxypropoxy)chromen-2-one
CID 174466451
1,2-dimethyl-4-propoxybenzene
CID 23549082

Frequently Asked Questions

What is the IUPAC name of (5-propoxy-1-benzofuran-2-yl)oxyboronic acid?
The IUPAC name of (5-propoxy-1-benzofuran-2-yl)oxyboronic acid (CID 54485072) is (5-propoxy-1-benzofuran-2-yl)oxyboronic acid.
What is the SMILES notation for (5-propoxy-1-benzofuran-2-yl)oxyboronic acid?
The canonical SMILES for (5-propoxy-1-benzofuran-2-yl)oxyboronic acid is CCCOc1ccc2oc(OB(O)O)cc2c1.
What is the InChIKey of (5-propoxy-1-benzofuran-2-yl)oxyboronic acid?
The InChIKey is XRSKFTPSHVSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BO5/c1-2-5-15-9-3-4-10-8(6-9)7-11(16-10)17-12(13)14/h3-4,6-7,13-14H,2,5H2,1H3.
What are the key properties of (5-propoxy-1-benzofuran-2-yl)oxyboronic acid?
(5-propoxy-1-benzofuran-2-yl)oxyboronic acid has a molecular weight of 236.03 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propoxy-1-benzofuran-2-yl)oxyboronic acid is sourced from PubChem (CID 54485072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).