methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane

C13H14BNO3 — CID 59921434

IUPACmethoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane
SMILESCO/B=N/c1cc(OCOC)c2ccccc2c1
InChIInChI=1S/C13H14BNO3/c1-16-9-18-13-8-11(15-14-17-2)7-10-5-3-4-6-12(10)13/h3-8H,9H2,1-2H3
InChIKeyHUIXLQPZUBRFRE-UHFFFAOYSA-N
MW243.07 g/mol
LogP2.90
Rot. Bonds5

About methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane

methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane (PubChem CID 59921434) has the molecular formula C13H14BNO3 and a molecular weight of 243.07 g/mol. Its IUPAC name is methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane.

Molecular Properties

Compound Namemethoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane
PubChem CID59921434
Molecular FormulaC13H14BNO3
Molecular Weight243.07 g/mol
Exact Mass243.11
IUPAC Namemethoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane
SMILESCO/B=N/c1cc(OCOC)c2ccccc2c1
InChIInChI=1S/C13H14BNO3/c1-16-9-18-13-8-11(15-14-17-2)7-10-5-3-4-6-12(10)13/h3-8H,9H2,1-2H3
InChIKeyHUIXLQPZUBRFRE-UHFFFAOYSA-N
XLogP2.90
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane?
The IUPAC name of methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane (CID 59921434) is methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane.
What is the SMILES notation for methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane?
The canonical SMILES for methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane is CO/B=N/c1cc(OCOC)c2ccccc2c1.
What is the InChIKey of methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane?
The InChIKey is HUIXLQPZUBRFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BNO3/c1-16-9-18-13-8-11(15-14-17-2)7-10-5-3-4-6-12(10)13/h3-8H,9H2,1-2H3.
What are the key properties of methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane?
methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane has a molecular weight of 243.07 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[4-(methoxymethoxy)naphthalen-2-yl]iminoborane is sourced from PubChem (CID 59921434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).