(5-methoxycarbonylfuran-3-yl)oxyboronic acid

C6H7BO6 — CID 177305601

IUPAC(5-methoxycarbonylfuran-3-yl)oxyboronic acid
SMILESCOC(=O)c1cc(OB(O)O)co1
InChIInChI=1S/C6H7BO6/c1-11-6(8)5-2-4(3-12-5)13-7(9)10/h2-3,9-10H,1H3
InChIKeyMMMNCKDOWVVQLJ-UHFFFAOYSA-N
MW185.93 g/mol
LogP-0.59
Rot. Bonds3

About (5-methoxycarbonylfuran-3-yl)oxyboronic acid

(5-methoxycarbonylfuran-3-yl)oxyboronic acid (PubChem CID 177305601) has the molecular formula C6H7BO6 and a molecular weight of 185.93 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-3-yl)oxyboronic acid.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-3-yl)oxyboronic acid
PubChem CID177305601
Molecular FormulaC6H7BO6
Molecular Weight185.93 g/mol
Exact Mass186.03
IUPAC Name(5-methoxycarbonylfuran-3-yl)oxyboronic acid
SMILESCOC(=O)c1cc(OB(O)O)co1
InChIInChI=1S/C6H7BO6/c1-11-6(8)5-2-4(3-12-5)13-7(9)10/h2-3,9-10H,1H3
InChIKeyMMMNCKDOWVVQLJ-UHFFFAOYSA-N
XLogP-0.59
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.93
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-hydroxyphenyl)furan-2-carboxylate
CID 117223143
methyl 4-(2-sulfanylpropyl)furan-2-carboxylate
CID 138630113
methyl 4-(3-bromophenyl)furan-2-carboxylate
CID 117222845
4-methoxyfuran-2-carbonyl chloride
CID 21185644
(3,5-diethylphenyl) methyl carbonate
CID 174729067
(4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate
CID 150313379
(5-chloro-2-methoxycarbonylphenoxy)boronic acid
CID 142796908
methyl 4-acetyl-5-bromofuran-2-carboxylate
CID 84737463
[4-(methoxycarbonylamino)phenoxy]boronic acid
CID 142779925
(4-fluoro-2-methoxycarbonylphenoxy)boronic acid
CID 142792846
[4-[(2,5-difluoro-4-methoxycarbonylphenyl)sulfamoyl]phenoxy]boronic acid
CID 142768643
methyl 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 23271204

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-3-yl)oxyboronic acid?
The IUPAC name of (5-methoxycarbonylfuran-3-yl)oxyboronic acid (CID 177305601) is (5-methoxycarbonylfuran-3-yl)oxyboronic acid.
What is the SMILES notation for (5-methoxycarbonylfuran-3-yl)oxyboronic acid?
The canonical SMILES for (5-methoxycarbonylfuran-3-yl)oxyboronic acid is COC(=O)c1cc(OB(O)O)co1.
What is the InChIKey of (5-methoxycarbonylfuran-3-yl)oxyboronic acid?
The InChIKey is MMMNCKDOWVVQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BO6/c1-11-6(8)5-2-4(3-12-5)13-7(9)10/h2-3,9-10H,1H3.
What are the key properties of (5-methoxycarbonylfuran-3-yl)oxyboronic acid?
(5-methoxycarbonylfuran-3-yl)oxyboronic acid has a molecular weight of 185.93 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-3-yl)oxyboronic acid is sourced from PubChem (CID 177305601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).