(3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane

C11H18B2O5 — CID 91016674

IUPAC(3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane
SMILESCOB(OC)c1cccc(B(OC)OC)c1OC
InChIInChI=1S/C11H18B2O5/c1-14-11-9(12(15-2)16-3)7-6-8-10(11)13(17-4)18-5/h6-8H,1-5H3
InChIKeyZJHOBRLVNGSMFB-UHFFFAOYSA-N
MW251.88 g/mol
LogP-0.33
Rot. Bonds7

About (3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane

(3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane (PubChem CID 91016674) has the molecular formula C11H18B2O5 and a molecular weight of 251.88 g/mol. Its IUPAC name is (3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane.

Molecular Properties

Compound Name(3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane
PubChem CID91016674
Molecular FormulaC11H18B2O5
Molecular Weight251.88 g/mol
Exact Mass252.13
IUPAC Name(3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane
SMILESCOB(OC)c1cccc(B(OC)OC)c1OC
InChIInChI=1S/C11H18B2O5/c1-14-11-9(12(15-2)16-3)7-6-8-10(11)13(17-4)18-5/h6-8H,1-5H3
InChIKeyZJHOBRLVNGSMFB-UHFFFAOYSA-N
XLogP-0.33
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.88
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-dimethoxyboranylphenyl)-dimethoxyborane
CID 90179871
16-methoxybicyclo[10.3.1]hexadeca-1(16),12,14-triene
CID 14816261
11-methoxybicyclo[5.3.1]undeca-1(11),7,9-triene
CID 14737390
(2,6-dimethylphenyl)-dimethoxyborane
CID 59583139
dimethoxy-[2-(methoxymethoxy)phenyl]borane
CID 123184481
1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine
CID 13196740
1,3-diiodo-2-methoxybenzene
CID 12610037
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
CID 177482961
CID 177482961
(3-cyclohexa-1,3-dien-1-yl-2-methoxyphenyl)boronic acid;ethane
CID 144815761
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione
CID 10340351

Frequently Asked Questions

What is the IUPAC name of (3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane?
The IUPAC name of (3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane (CID 91016674) is (3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane.
What is the SMILES notation for (3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane?
The canonical SMILES for (3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane is COB(OC)c1cccc(B(OC)OC)c1OC.
What is the InChIKey of (3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane?
The InChIKey is ZJHOBRLVNGSMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18B2O5/c1-14-11-9(12(15-2)16-3)7-6-8-10(11)13(17-4)18-5/h6-8H,1-5H3.
What are the key properties of (3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane?
(3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane has a molecular weight of 251.88 g/mol, XLogP of -0.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dimethoxyboranyl-2-methoxyphenyl)-dimethoxyborane is sourced from PubChem (CID 91016674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).