[2-(3-methoxyphenyl)thiophen-3-yl]boronic acid

C11H11BO3S — CID 175098946

IUPAC[2-(3-methoxyphenyl)thiophen-3-yl]boronic acid
SMILESCOc1cccc(-c2sccc2B(O)O)c1
InChIInChI=1S/C11H11BO3S/c1-15-9-4-2-3-8(7-9)11-10(12(13)14)5-6-16-11/h2-7,13-14H,1H3
InChIKeyDHTFXMHFMJDSNK-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.10
Rot. Bonds3

About [2-(3-methoxyphenyl)thiophen-3-yl]boronic acid

[2-(3-methoxyphenyl)thiophen-3-yl]boronic acid (PubChem CID 175098946) has the molecular formula C11H11BO3S and a molecular weight of 234.09 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)thiophen-3-yl]boronic acid.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)thiophen-3-yl]boronic acid
PubChem CID175098946
Molecular FormulaC11H11BO3S
Molecular Weight234.09 g/mol
Exact Mass234.05
IUPAC Name[2-(3-methoxyphenyl)thiophen-3-yl]boronic acid
SMILESCOc1cccc(-c2sccc2B(O)O)c1
InChIInChI=1S/C11H11BO3S/c1-15-9-4-2-3-8(7-9)11-10(12(13)14)5-6-16-11/h2-7,13-14H,1H3
InChIKeyDHTFXMHFMJDSNK-UHFFFAOYSA-N
XLogP1.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.10
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

[3-(3-methoxyphenyl)phenyl]boronic acid
CID 23005394
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
(3-methoxyphenyl)boronic acid
CID 2734370
4-bromo-5-(3-methoxyphenyl)-1,3-thiazole
CID 66520687
3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole
CID 14097241
2,5-bis(3-methoxyphenyl)-3-methylthiophene
CID 123497172
bis(3-methoxyphenyl)borinic acid
CID 153354662
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid
CID 131383111
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
5-(3-methoxyphenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510854

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)thiophen-3-yl]boronic acid?
The IUPAC name of [2-(3-methoxyphenyl)thiophen-3-yl]boronic acid (CID 175098946) is [2-(3-methoxyphenyl)thiophen-3-yl]boronic acid.
What is the SMILES notation for [2-(3-methoxyphenyl)thiophen-3-yl]boronic acid?
The canonical SMILES for [2-(3-methoxyphenyl)thiophen-3-yl]boronic acid is COc1cccc(-c2sccc2B(O)O)c1.
What is the InChIKey of [2-(3-methoxyphenyl)thiophen-3-yl]boronic acid?
The InChIKey is DHTFXMHFMJDSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BO3S/c1-15-9-4-2-3-8(7-9)11-10(12(13)14)5-6-16-11/h2-7,13-14H,1H3.
What are the key properties of [2-(3-methoxyphenyl)thiophen-3-yl]boronic acid?
[2-(3-methoxyphenyl)thiophen-3-yl]boronic acid has a molecular weight of 234.09 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)thiophen-3-yl]boronic acid is sourced from PubChem (CID 175098946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).