[4-(4-methoxyphenoxy)phenyl]borane

C13H13BO2 — CID 88897158

IUPAC[4-(4-methoxyphenoxy)phenyl]borane
SMILESBc1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C13H13BO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9H,14H2,1H3
InChIKeyNVMIHKRARKKUNR-UHFFFAOYSA-N
MW212.06 g/mol
LogP1.75
Rot. Bonds3

About [4-(4-methoxyphenoxy)phenyl]borane

[4-(4-methoxyphenoxy)phenyl]borane (PubChem CID 88897158) has the molecular formula C13H13BO2 and a molecular weight of 212.06 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)phenyl]borane.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)phenyl]borane
PubChem CID88897158
Molecular FormulaC13H13BO2
Molecular Weight212.06 g/mol
Exact Mass212.10
IUPAC Name[4-(4-methoxyphenoxy)phenyl]borane
SMILESBc1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C13H13BO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9H,14H2,1H3
InChIKeyNVMIHKRARKKUNR-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [4-(4-methoxyphenoxy)phenyl]borane?
The IUPAC name of [4-(4-methoxyphenoxy)phenyl]borane (CID 88897158) is [4-(4-methoxyphenoxy)phenyl]borane.
What is the SMILES notation for [4-(4-methoxyphenoxy)phenyl]borane?
The canonical SMILES for [4-(4-methoxyphenoxy)phenyl]borane is Bc1ccc(Oc2ccc(OC)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenoxy)phenyl]borane?
The InChIKey is NVMIHKRARKKUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9H,14H2,1H3.
What are the key properties of [4-(4-methoxyphenoxy)phenyl]borane?
[4-(4-methoxyphenoxy)phenyl]borane has a molecular weight of 212.06 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)phenyl]borane is sourced from PubChem (CID 88897158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).