(2,3-dimethylphenyl)boronic acid;ethane

C10H17BO2 — CID 91164707

IUPAC(2,3-dimethylphenyl)boronic acid;ethane
SMILESCC.Cc1cccc(B(O)O)c1C
InChIInChI=1S/C8H11BO2.C2H6/c1-6-4-3-5-8(7(6)2)9(10)11;1-2/h3-5,10-11H,1-2H3;1-2H3
InChIKeyWBUBGXOBJKVPQS-UHFFFAOYSA-N
MW180.06 g/mol
LogP1.01
Rot. Bonds1

About (2,3-dimethylphenyl)boronic acid;ethane

(2,3-dimethylphenyl)boronic acid;ethane (PubChem CID 91164707) has the molecular formula C10H17BO2 and a molecular weight of 180.06 g/mol. Its IUPAC name is (2,3-dimethylphenyl)boronic acid;ethane.

Molecular Properties

Compound Name(2,3-dimethylphenyl)boronic acid;ethane
PubChem CID91164707
Molecular FormulaC10H17BO2
Molecular Weight180.06 g/mol
Exact Mass180.13
IUPAC Name(2,3-dimethylphenyl)boronic acid;ethane
SMILESCC.Cc1cccc(B(O)O)c1C
InChIInChI=1S/C8H11BO2.C2H6/c1-6-4-3-5-8(7(6)2)9(10)11;1-2/h3-5,10-11H,1-2H3;1-2H3
InChIKeyWBUBGXOBJKVPQS-UHFFFAOYSA-N
XLogP1.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.06
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 165087656
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benzene;1,2,3-trimethylbenzene
CID 159605245
(3-cyclopropyl-2-methylphenyl)boronic acid
CID 124706850
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
ethane;1,2,5-trimethylnaphthalene
CID 142394206
[2-(methoxymethoxy)-3-methylphenyl]boronic acid
CID 44517875
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
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phosphoric acid;tris(1,2,3-trimethylbenzene)
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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)boronic acid;ethane?
The IUPAC name of (2,3-dimethylphenyl)boronic acid;ethane (CID 91164707) is (2,3-dimethylphenyl)boronic acid;ethane.
What is the SMILES notation for (2,3-dimethylphenyl)boronic acid;ethane?
The canonical SMILES for (2,3-dimethylphenyl)boronic acid;ethane is CC.Cc1cccc(B(O)O)c1C.
What is the InChIKey of (2,3-dimethylphenyl)boronic acid;ethane?
The InChIKey is WBUBGXOBJKVPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO2.C2H6/c1-6-4-3-5-8(7(6)2)9(10)11;1-2/h3-5,10-11H,1-2H3;1-2H3.
What are the key properties of (2,3-dimethylphenyl)boronic acid;ethane?
(2,3-dimethylphenyl)boronic acid;ethane has a molecular weight of 180.06 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)boronic acid;ethane is sourced from PubChem (CID 91164707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).