dimethoxy-[2-(methoxymethoxy)phenyl]borane

C10H15BO4 — CID 123184481

IUPACdimethoxy-[2-(methoxymethoxy)phenyl]borane
SMILESCOCOc1ccccc1B(OC)OC
InChIInChI=1S/C10H15BO4/c1-12-8-15-10-7-5-4-6-9(10)11(13-2)14-3/h4-7H,8H2,1-3H3
InChIKeyJDXXIWKOIXJSRX-UHFFFAOYSA-N
MW210.04 g/mol
LogP0.66
Rot. Bonds6

About dimethoxy-[2-(methoxymethoxy)phenyl]borane

dimethoxy-[2-(methoxymethoxy)phenyl]borane (PubChem CID 123184481) has the molecular formula C10H15BO4 and a molecular weight of 210.04 g/mol. Its IUPAC name is dimethoxy-[2-(methoxymethoxy)phenyl]borane.

Molecular Properties

Compound Namedimethoxy-[2-(methoxymethoxy)phenyl]borane
PubChem CID123184481
Molecular FormulaC10H15BO4
Molecular Weight210.04 g/mol
Exact Mass210.11
IUPAC Namedimethoxy-[2-(methoxymethoxy)phenyl]borane
SMILESCOCOc1ccccc1B(OC)OC
InChIInChI=1S/C10H15BO4/c1-12-8-15-10-7-5-4-6-9(10)11(13-2)14-3/h4-7H,8H2,1-3H3
InChIKeyJDXXIWKOIXJSRX-UHFFFAOYSA-N
XLogP0.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

Anisole
CID 7519
1,4-Dimethoxybenzene
CID 9016
Diphenyl carbonate
CID 7597
(4-Methoxyphenyl)boronic acid
CID 201262
Phenyl vinyl ether
CID 69840
2-Methoxyphenylboronic acid
CID 2733958
(3-Methoxyphenyl)boronic acid
CID 2734370
Benzene, (1-ethoxyethoxy)-
CID 95485
2-Fluoro-3-methoxyphenylboronic acid
CID 4985744
2H-Pyran, tetrahydro-2-phenoxy-
CID 107240
4-Ethoxyphenylboronic acid
CID 2734351
3-Ethoxybenzeneboronic acid
CID 2773920

Frequently Asked Questions

What is the IUPAC name of dimethoxy-[2-(methoxymethoxy)phenyl]borane?
The IUPAC name of dimethoxy-[2-(methoxymethoxy)phenyl]borane (CID 123184481) is dimethoxy-[2-(methoxymethoxy)phenyl]borane.
What is the SMILES notation for dimethoxy-[2-(methoxymethoxy)phenyl]borane?
The canonical SMILES for dimethoxy-[2-(methoxymethoxy)phenyl]borane is COCOc1ccccc1B(OC)OC.
What is the InChIKey of dimethoxy-[2-(methoxymethoxy)phenyl]borane?
The InChIKey is JDXXIWKOIXJSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO4/c1-12-8-15-10-7-5-4-6-9(10)11(13-2)14-3/h4-7H,8H2,1-3H3.
What are the key properties of dimethoxy-[2-(methoxymethoxy)phenyl]borane?
dimethoxy-[2-(methoxymethoxy)phenyl]borane has a molecular weight of 210.04 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[2-(methoxymethoxy)phenyl]borane is sourced from PubChem (CID 123184481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).