2-(4-dimethylboranylphenoxy)ethanol

C10H15BO2 — CID 58852404

IUPAC2-(4-dimethylboranylphenoxy)ethanol
SMILESCB(C)c1ccc(OCCO)cc1
InChIInChI=1S/C10H15BO2/c1-11(2)9-3-5-10(6-4-9)13-8-7-12/h3-6,12H,7-8H2,1-2H3
InChIKeyZHHZFNOOOXZEPG-UHFFFAOYSA-N
MW178.04 g/mol
LogP1.02
Rot. Bonds4

About 2-(4-dimethylboranylphenoxy)ethanol

2-(4-dimethylboranylphenoxy)ethanol (PubChem CID 58852404) has the molecular formula C10H15BO2 and a molecular weight of 178.04 g/mol. Its IUPAC name is 2-(4-dimethylboranylphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-dimethylboranylphenoxy)ethanol
PubChem CID58852404
Molecular FormulaC10H15BO2
Molecular Weight178.04 g/mol
Exact Mass178.12
IUPAC Name2-(4-dimethylboranylphenoxy)ethanol
SMILESCB(C)c1ccc(OCCO)cc1
InChIInChI=1S/C10H15BO2/c1-11(2)9-3-5-10(6-4-9)13-8-7-12/h3-6,12H,7-8H2,1-2H3
InChIKeyZHHZFNOOOXZEPG-UHFFFAOYSA-N
XLogP1.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.04
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 162335780
CID 162335780
dimethyl-[4-(2-phenoxyethoxy)phenyl]borane
CID 58429994
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol
CID 139605342
dimethyl-[4-(4-phenylbutoxy)phenyl]borane;methane
CID 158958715
CID 90413070
CID 90413070
[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid
CID 67996313
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
CID 175309194
2-(4-prop-1-enylphenoxy)ethanol
CID 54412247
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264

Frequently Asked Questions

What is the IUPAC name of 2-(4-dimethylboranylphenoxy)ethanol?
The IUPAC name of 2-(4-dimethylboranylphenoxy)ethanol (CID 58852404) is 2-(4-dimethylboranylphenoxy)ethanol.
What is the SMILES notation for 2-(4-dimethylboranylphenoxy)ethanol?
The canonical SMILES for 2-(4-dimethylboranylphenoxy)ethanol is CB(C)c1ccc(OCCO)cc1.
What is the InChIKey of 2-(4-dimethylboranylphenoxy)ethanol?
The InChIKey is ZHHZFNOOOXZEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO2/c1-11(2)9-3-5-10(6-4-9)13-8-7-12/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 2-(4-dimethylboranylphenoxy)ethanol?
2-(4-dimethylboranylphenoxy)ethanol has a molecular weight of 178.04 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dimethylboranylphenoxy)ethanol is sourced from PubChem (CID 58852404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).