[(3,5-dimethoxyphenyl)-phenylboranyl]formic acid

C15H15BO4 — CID 174868604

IUPAC[(3,5-dimethoxyphenyl)-phenylboranyl]formic acid
SMILESCOc1cc(OC)cc(B(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C15H15BO4/c1-19-13-8-12(9-14(10-13)20-2)16(15(17)18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18)
InChIKeyDSYRQBLSXIYSQX-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.57
Rot. Bonds5

About [(3,5-dimethoxyphenyl)-phenylboranyl]formic acid

[(3,5-dimethoxyphenyl)-phenylboranyl]formic acid (PubChem CID 174868604) has the molecular formula C15H15BO4 and a molecular weight of 270.09 g/mol. Its IUPAC name is [(3,5-dimethoxyphenyl)-phenylboranyl]formic acid.

Molecular Properties

Compound Name[(3,5-dimethoxyphenyl)-phenylboranyl]formic acid
PubChem CID174868604
Molecular FormulaC15H15BO4
Molecular Weight270.09 g/mol
Exact Mass270.11
IUPAC Name[(3,5-dimethoxyphenyl)-phenylboranyl]formic acid
SMILESCOc1cc(OC)cc(B(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C15H15BO4/c1-19-13-8-12(9-14(10-13)20-2)16(15(17)18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18)
InChIKeyDSYRQBLSXIYSQX-UHFFFAOYSA-N
XLogP1.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3,5-dimethoxyphenyl)-phenylboranyl]formic acid?
The IUPAC name of [(3,5-dimethoxyphenyl)-phenylboranyl]formic acid (CID 174868604) is [(3,5-dimethoxyphenyl)-phenylboranyl]formic acid.
What is the SMILES notation for [(3,5-dimethoxyphenyl)-phenylboranyl]formic acid?
The canonical SMILES for [(3,5-dimethoxyphenyl)-phenylboranyl]formic acid is COc1cc(OC)cc(B(C(=O)O)c2ccccc2)c1.
What is the InChIKey of [(3,5-dimethoxyphenyl)-phenylboranyl]formic acid?
The InChIKey is DSYRQBLSXIYSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BO4/c1-19-13-8-12(9-14(10-13)20-2)16(15(17)18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18).
What are the key properties of [(3,5-dimethoxyphenyl)-phenylboranyl]formic acid?
[(3,5-dimethoxyphenyl)-phenylboranyl]formic acid has a molecular weight of 270.09 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethoxyphenyl)-phenylboranyl]formic acid is sourced from PubChem (CID 174868604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).