[5-(methoxymethyl)thiophen-2-yl]boronic acid

C6H9BO3S — CID 46785737

IUPAC[5-(methoxymethyl)thiophen-2-yl]boronic acid
SMILESCOCc1ccc(B(O)O)s1
InChIInChI=1S/C6H9BO3S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3,8-9H,4H2,1H3
InChIKeyCURNSMMUACWAPK-UHFFFAOYSA-N
MW172.01 g/mol
LogP-0.43
Rot. Bonds3

About [5-(methoxymethyl)thiophen-2-yl]boronic acid

[5-(methoxymethyl)thiophen-2-yl]boronic acid (PubChem CID 46785737) has the molecular formula C6H9BO3S and a molecular weight of 172.01 g/mol. Its IUPAC name is [5-(methoxymethyl)thiophen-2-yl]boronic acid.

Molecular Properties

Compound Name[5-(methoxymethyl)thiophen-2-yl]boronic acid
PubChem CID46785737
Molecular FormulaC6H9BO3S
Molecular Weight172.01 g/mol
Exact Mass172.04
IUPAC Name[5-(methoxymethyl)thiophen-2-yl]boronic acid
SMILESCOCc1ccc(B(O)O)s1
InChIInChI=1S/C6H9BO3S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3,8-9H,4H2,1H3
InChIKeyCURNSMMUACWAPK-UHFFFAOYSA-N
XLogP-0.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.01
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-5-methylthiophene
CID 15121011
(5-pentylthiophen-2-yl)boronic acid
CID 53398606
5-(methoxymethyl)thiophene-2-carbonyl chloride
CID 21266024
[5-[(pentylamino)methyl]thiophen-2-yl]boronic acid
CID 66722868
[5-[(hexylamino)methyl]thiophen-2-yl]boronic acid
CID 66723135
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene
CID 129157025
1-cyclohexyl-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273821
2-(methoxymethyl)thiophene
CID 10240820
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]morpholin-4-amine
CID 53273822
5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide
CID 74242161
1-[6-hydroxy-4-[5-(methoxymethyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 74241719

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)thiophen-2-yl]boronic acid?
The IUPAC name of [5-(methoxymethyl)thiophen-2-yl]boronic acid (CID 46785737) is [5-(methoxymethyl)thiophen-2-yl]boronic acid.
What is the SMILES notation for [5-(methoxymethyl)thiophen-2-yl]boronic acid?
The canonical SMILES for [5-(methoxymethyl)thiophen-2-yl]boronic acid is COCc1ccc(B(O)O)s1.
What is the InChIKey of [5-(methoxymethyl)thiophen-2-yl]boronic acid?
The InChIKey is CURNSMMUACWAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BO3S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3,8-9H,4H2,1H3.
What are the key properties of [5-(methoxymethyl)thiophen-2-yl]boronic acid?
[5-(methoxymethyl)thiophen-2-yl]boronic acid has a molecular weight of 172.01 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)thiophen-2-yl]boronic acid is sourced from PubChem (CID 46785737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).