(3-ethylphenyl)-(4-methylphenyl)borinic acid

C15H17BO — CID 58413893

IUPAC(3-ethylphenyl)-(4-methylphenyl)borinic acid
SMILESCCc1cccc(B(O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H17BO/c1-3-13-5-4-6-15(11-13)16(17)14-9-7-12(2)8-10-14/h4-11,17H,3H2,1-2H3
InChIKeySRUBSYLSQSNNJH-UHFFFAOYSA-N
MW224.11 g/mol
LogP1.66
Rot. Bonds3

About (3-ethylphenyl)-(4-methylphenyl)borinic acid

(3-ethylphenyl)-(4-methylphenyl)borinic acid (PubChem CID 58413893) has the molecular formula C15H17BO and a molecular weight of 224.11 g/mol. Its IUPAC name is (3-ethylphenyl)-(4-methylphenyl)borinic acid.

Molecular Properties

Compound Name(3-ethylphenyl)-(4-methylphenyl)borinic acid
PubChem CID58413893
Molecular FormulaC15H17BO
Molecular Weight224.11 g/mol
Exact Mass224.14
IUPAC Name(3-ethylphenyl)-(4-methylphenyl)borinic acid
SMILESCCc1cccc(B(O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H17BO/c1-3-13-5-4-6-15(11-13)16(17)14-9-7-12(2)8-10-14/h4-11,17H,3H2,1-2H3
InChIKeySRUBSYLSQSNNJH-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-phenylborinic acid
CID 143940886
bis(4-methylphenyl)borinic acid;methane
CID 158859792
1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline
CID 139519281
1-ethyl-3-methylbenzene;methanamine
CID 167447790
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
ethane;1-ethyl-3-methylbenzene;formaldehyde
CID 172563625
ethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 174313619

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-(4-methylphenyl)borinic acid?
The IUPAC name of (3-ethylphenyl)-(4-methylphenyl)borinic acid (CID 58413893) is (3-ethylphenyl)-(4-methylphenyl)borinic acid.
What is the SMILES notation for (3-ethylphenyl)-(4-methylphenyl)borinic acid?
The canonical SMILES for (3-ethylphenyl)-(4-methylphenyl)borinic acid is CCc1cccc(B(O)c2ccc(C)cc2)c1.
What is the InChIKey of (3-ethylphenyl)-(4-methylphenyl)borinic acid?
The InChIKey is SRUBSYLSQSNNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BO/c1-3-13-5-4-6-15(11-13)16(17)14-9-7-12(2)8-10-14/h4-11,17H,3H2,1-2H3.
What are the key properties of (3-ethylphenyl)-(4-methylphenyl)borinic acid?
(3-ethylphenyl)-(4-methylphenyl)borinic acid has a molecular weight of 224.11 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-(4-methylphenyl)borinic acid is sourced from PubChem (CID 58413893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).