trimethoxy-(4-methylphenyl)boranuide

C10H16BO3- — CID 101038733

IUPACtrimethoxy-(4-methylphenyl)boranuide
SMILESCO[B-](OC)(OC)c1ccc(C)cc1
InChIInChI=1S/C10H16BO3/c1-9-5-7-10(8-6-9)11(12-2,13-3)14-4/h5-8H,1-4H3/q-1
InChIKeyMANNJXAXXCMYIN-UHFFFAOYSA-N
MW195.05 g/mol
LogP1.08
Rot. Bonds4

About trimethoxy-(4-methylphenyl)boranuide

trimethoxy-(4-methylphenyl)boranuide (PubChem CID 101038733) has the molecular formula C10H16BO3- and a molecular weight of 195.05 g/mol. Its IUPAC name is trimethoxy-(4-methylphenyl)boranuide.

Molecular Properties

Compound Nametrimethoxy-(4-methylphenyl)boranuide
PubChem CID101038733
Molecular FormulaC10H16BO3-
Molecular Weight195.05 g/mol
Exact Mass195.12
IUPAC Nametrimethoxy-(4-methylphenyl)boranuide
SMILESCO[B-](OC)(OC)c1ccc(C)cc1
InChIInChI=1S/C10H16BO3/c1-9-5-7-10(8-6-9)11(12-2,13-3)14-4/h5-8H,1-4H3/q-1
InChIKeyMANNJXAXXCMYIN-UHFFFAOYSA-N
XLogP1.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 51.08
H-Bond Donors ≤ 50
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 trimethoxy-(4-methylphenyl)boranuide?
The IUPAC name of trimethoxy-(4-methylphenyl)boranuide (CID 101038733) is trimethoxy-(4-methylphenyl)boranuide.
What is the SMILES notation for trimethoxy-(4-methylphenyl)boranuide?
The canonical SMILES for trimethoxy-(4-methylphenyl)boranuide is CO[B-](OC)(OC)c1ccc(C)cc1.
What is the InChIKey of trimethoxy-(4-methylphenyl)boranuide?
The InChIKey is MANNJXAXXCMYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BO3/c1-9-5-7-10(8-6-9)11(12-2,13-3)14-4/h5-8H,1-4H3/q-1.
What are the key properties of trimethoxy-(4-methylphenyl)boranuide?
trimethoxy-(4-methylphenyl)boranuide has a molecular weight of 195.05 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-(4-methylphenyl)boranuide is sourced from PubChem (CID 101038733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).