CID 89308920

C16H11B2O4 — CID 89308920

IUPAC—
SMILESO[B]Oc1ccc2ccc3c(B(O)O)ccc4ccc1c2c43
InChIInChI=1S/C16H11B2O4/c19-17-22-14-8-4-10-1-5-11-13(18(20)21)7-3-9-2-6-12(14)16(10)15(9)11/h1-8,19-21H
InChIKeyUEZGNFCVFSAYCG-UHFFFAOYSA-N
MW288.88 g/mol
LogP1.17
Rot. Bonds3

About CID 89308920

CID 89308920 (PubChem CID 89308920) has the molecular formula C16H11B2O4 and a molecular weight of 288.88 g/mol.

Molecular Properties

Compound NameCID 89308920
PubChem CID89308920
Molecular FormulaC16H11B2O4
Molecular Weight288.88 g/mol
Exact Mass289.08
IUPAC Name—
SMILESO[B]Oc1ccc2ccc3c(B(O)O)ccc4ccc1c2c43
InChIInChI=1S/C16H11B2O4/c19-17-22-14-8-4-10-1-5-11-13(18(20)21)7-3-9-2-6-12(14)16(10)15(9)11/h1-8,19-21H
InChIKeyUEZGNFCVFSAYCG-UHFFFAOYSA-N
XLogP1.17
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.88
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 89308920?
The IUPAC name of CID 89308920 (CID 89308920) is not available.
What is the SMILES notation for CID 89308920?
The canonical SMILES for CID 89308920 is O[B]Oc1ccc2ccc3c(B(O)O)ccc4ccc1c2c43.
What is the InChIKey of CID 89308920?
The InChIKey is UEZGNFCVFSAYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11B2O4/c19-17-22-14-8-4-10-1-5-11-13(18(20)21)7-3-9-2-6-12(14)16(10)15(9)11/h1-8,19-21H.
What are the key properties of CID 89308920?
CID 89308920 has a molecular weight of 288.88 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89308920 is sourced from PubChem (CID 89308920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).