1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine

C15H14BNO3 — CID 76777789

IUPAC1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine
SMILESOB1OCc2cccc(C=NOCc3ccccc3)c21
InChIInChI=1S/C15H14BNO3/c18-16-15-13(7-4-8-14(15)11-19-16)9-17-20-10-12-5-2-1-3-6-12/h1-9,18H,10-11H2
InChIKeyNZVWNRDIIDGCJO-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.46
Rot. Bonds4

About 1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine

1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine (PubChem CID 76777789) has the molecular formula C15H14BNO3 and a molecular weight of 267.09 g/mol. Its IUPAC name is 1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine
PubChem CID76777789
Molecular FormulaC15H14BNO3
Molecular Weight267.09 g/mol
Exact Mass267.11
IUPAC Name1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine
SMILESOB1OCc2cccc(C=NOCc3ccccc3)c21
InChIInChI=1S/C15H14BNO3/c18-16-15-13(7-4-8-14(15)11-19-16)9-17-20-10-12-5-2-1-3-6-12/h1-9,18H,10-11H2
InChIKeyNZVWNRDIIDGCJO-UHFFFAOYSA-N
XLogP1.46
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine?
The IUPAC name of 1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine (CID 76777789) is 1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine.
What is the SMILES notation for 1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine?
The canonical SMILES for 1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine is OB1OCc2cccc(C=NOCc3ccccc3)c21.
What is the InChIKey of 1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine?
The InChIKey is NZVWNRDIIDGCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BNO3/c18-16-15-13(7-4-8-14(15)11-19-16)9-17-20-10-12-5-2-1-3-6-12/h1-9,18H,10-11H2.
What are the key properties of 1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine?
1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine has a molecular weight of 267.09 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 76777789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).