[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid

C13H13BO3 — CID 144640440

IUPAC[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
SMILESC=Cc1oc2c(B(O)O)cccc2c1/C=C\C
InChIInChI=1S/C13H13BO3/c1-3-6-9-10-7-5-8-11(14(15)16)13(10)17-12(9)4-2/h3-8,15-16H,2H2,1H3/b6-3-
InChIKeyYVGSLNUZEUIDJF-UTCJRWHESA-N
MW228.06 g/mol
LogP1.79
Rot. Bonds3

About [2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid

[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid (PubChem CID 144640440) has the molecular formula C13H13BO3 and a molecular weight of 228.06 g/mol. Its IUPAC name is [2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid.

Molecular Properties

Compound Name[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
PubChem CID144640440
Molecular FormulaC13H13BO3
Molecular Weight228.06 g/mol
Exact Mass228.10
IUPAC Name[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
SMILESC=Cc1oc2c(B(O)O)cccc2c1/C=C\C
InChIInChI=1S/C13H13BO3/c1-3-6-9-10-7-5-8-11(14(15)16)13(10)17-12(9)4-2/h3-8,15-16H,2H2,1H3/b6-3-
InChIKeyYVGSLNUZEUIDJF-UTCJRWHESA-N
XLogP1.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[[2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]methyl]phenyl]boronic acid
CID 145017061
(2,3-dimethyl-1-benzofuran-7-yl)boronic acid
CID 123918946
2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 130336629
3-chloro-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 167042883
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186
21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-ylboronic acid
CID 140963803
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 144612981
[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid
CID 145237300
N-methyl-1-[3-[(Z)-prop-1-enyl]-7-pyridin-2-yl-1-benzofuran-2-yl]methanimine
CID 139525838
N-[6-bromo-1,2-bis(ethenyl)-3,3-dimethylinden-4-yl]-2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-amine;ethane
CID 145129718
2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine
CID 166654735
2-(3-dibenzofuran-4-ylphenyl)-6-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142502845

Frequently Asked Questions

What is the IUPAC name of [2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid?
The IUPAC name of [2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid (CID 144640440) is [2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid.
What is the SMILES notation for [2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid?
The canonical SMILES for [2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid is C=Cc1oc2c(B(O)O)cccc2c1/C=C\C.
What is the InChIKey of [2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid?
The InChIKey is YVGSLNUZEUIDJF-UTCJRWHESA-N. The full InChI is InChI=1S/C13H13BO3/c1-3-6-9-10-7-5-8-11(14(15)16)13(10)17-12(9)4-2/h3-8,15-16H,2H2,1H3/b6-3-.
What are the key properties of [2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid?
[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid has a molecular weight of 228.06 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid is sourced from PubChem (CID 144640440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).