[(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid

C13H15BO3 — CID 144781965

IUPAC[(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid
SMILESCCc1c(/C=C(\C)B(O)O)oc2ccccc12
InChIInChI=1S/C13H15BO3/c1-3-10-11-6-4-5-7-12(11)17-13(10)8-9(2)14(15)16/h4-8,15-16H,3H2,1-2H3/b9-8+
InChIKeyLCHVPLROYKOCTP-CMDGGOBGSA-N
MW230.07 g/mol
LogP2.41
Rot. Bonds3

About [(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid

[(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid (PubChem CID 144781965) has the molecular formula C13H15BO3 and a molecular weight of 230.07 g/mol. Its IUPAC name is [(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid.

Molecular Properties

Compound Name[(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid
PubChem CID144781965
Molecular FormulaC13H15BO3
Molecular Weight230.07 g/mol
Exact Mass230.11
IUPAC Name[(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid
SMILESCCc1c(/C=C(\C)B(O)O)oc2ccccc12
InChIInChI=1S/C13H15BO3/c1-3-10-11-6-4-5-7-12(11)17-13(10)8-9(2)14(15)16/h4-8,15-16H,3H2,1-2H3/b9-8+
InChIKeyLCHVPLROYKOCTP-CMDGGOBGSA-N
XLogP2.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.07
LogP ≤ 52.41
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

3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran
CID 129286688
3,4-diethylchromen-2-one
CID 11680028
[2-[(E)-2-phenylethenyl]-1-benzofuran-3-yl]methanol
CID 11265190
dibenzofuran;ethanol
CID 174821059
[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
CID 73010672
1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one
CID 101462387
3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol
CID 64812611
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate
CID 9075990
3-(3-ethyl-1-benzofuran-2-yl)butanoic acid
CID 43211333
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate
CID 104503814

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid?
The IUPAC name of [(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid (CID 144781965) is [(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid.
What is the SMILES notation for [(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid?
The canonical SMILES for [(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid is CCc1c(/C=C(\C)B(O)O)oc2ccccc12.
What is the InChIKey of [(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid?
The InChIKey is LCHVPLROYKOCTP-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H15BO3/c1-3-10-11-6-4-5-7-12(11)17-13(10)8-9(2)14(15)16/h4-8,15-16H,3H2,1-2H3/b9-8+.
What are the key properties of [(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid?
[(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid has a molecular weight of 230.07 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid is sourced from PubChem (CID 144781965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).