trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide

C12H20BO6- — CID 146165783

IUPACtrimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide
SMILESCOCOc1cccc([B-](OC)(OC)OC)c1OC
InChIInChI=1S/C12H20BO6/c1-14-9-19-11-8-6-7-10(12(11)15-2)13(16-3,17-4)18-5/h6-8H,9H2,1-5H3/q-1
InChIKeyXYNZBJUMWUWTGV-UHFFFAOYSA-N
MW271.10 g/mol
LogP0.76
Rot. Bonds8

About trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide

trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide (PubChem CID 146165783) has the molecular formula C12H20BO6- and a molecular weight of 271.10 g/mol. Its IUPAC name is trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide
PubChem CID146165783
Molecular FormulaC12H20BO6-
Molecular Weight271.10 g/mol
Exact Mass271.14
IUPAC Nametrimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide
SMILESCOCOc1cccc([B-](OC)(OC)OC)c1OC
InChIInChI=1S/C12H20BO6/c1-14-9-19-11-8-6-7-10(12(11)15-2)13(16-3,17-4)18-5/h6-8H,9H2,1-5H3/q-1
InChIKeyXYNZBJUMWUWTGV-UHFFFAOYSA-N
XLogP0.76
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide?
The IUPAC name of trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide (CID 146165783) is trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide.
What is the SMILES notation for trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide?
The canonical SMILES for trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide is COCOc1cccc([B-](OC)(OC)OC)c1OC.
What is the InChIKey of trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide?
The InChIKey is XYNZBJUMWUWTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BO6/c1-14-9-19-11-8-6-7-10(12(11)15-2)13(16-3,17-4)18-5/h6-8H,9H2,1-5H3/q-1.
What are the key properties of trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide?
trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide has a molecular weight of 271.10 g/mol, XLogP of 0.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-methoxy-3-(methoxymethoxy)phenyl]boranuide is sourced from PubChem (CID 146165783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).