CID 123347966

C20H14BO3 — CID 123347966

IUPAC—
SMILESO[B]Oc1ccc2c(-c3ccccc3)c(-c3ccccc3)oc2c1
InChIInChI=1S/C20H14BO3/c22-21-24-16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13,22H
InChIKeyKANSUJGDSPFIAU-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.67
Rot. Bonds4

About CID 123347966

CID 123347966 (PubChem CID 123347966) has the molecular formula C20H14BO3 and a molecular weight of 313.14 g/mol.

Molecular Properties

Compound NameCID 123347966
PubChem CID123347966
Molecular FormulaC20H14BO3
Molecular Weight313.14 g/mol
Exact Mass313.10
IUPAC Name—
SMILESO[B]Oc1ccc2c(-c3ccccc3)c(-c3ccccc3)oc2c1
InChIInChI=1S/C20H14BO3/c22-21-24-16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13,22H
InChIKeyKANSUJGDSPFIAU-UHFFFAOYSA-N
XLogP4.67
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 CID 123347966?
The IUPAC name of CID 123347966 (CID 123347966) is not available.
What is the SMILES notation for CID 123347966?
The canonical SMILES for CID 123347966 is O[B]Oc1ccc2c(-c3ccccc3)c(-c3ccccc3)oc2c1.
What is the InChIKey of CID 123347966?
The InChIKey is KANSUJGDSPFIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BO3/c22-21-24-16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13,22H.
What are the key properties of CID 123347966?
CID 123347966 has a molecular weight of 313.14 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123347966 is sourced from PubChem (CID 123347966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).