CID 59629155

C20H14BO2 — CID 59629155

IUPAC—
SMILESO[B]Oc1ccc(-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H14BO2/c22-21-23-16-11-9-14(10-12-16)20-13-15-5-1-2-6-17(15)18-7-3-4-8-19(18)20/h1-13,22H
InChIKeyAKCXSMXOBPDTBD-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.57
Rot. Bonds3

About CID 59629155

CID 59629155 (PubChem CID 59629155) has the molecular formula C20H14BO2 and a molecular weight of 297.14 g/mol.

Molecular Properties

Compound NameCID 59629155
PubChem CID59629155
Molecular FormulaC20H14BO2
Molecular Weight297.14 g/mol
Exact Mass297.11
IUPAC Name—
SMILESO[B]Oc1ccc(-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H14BO2/c22-21-23-16-11-9-14(10-12-16)20-13-15-5-1-2-6-17(15)18-7-3-4-8-19(18)20/h1-13,22H
InChIKeyAKCXSMXOBPDTBD-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 59629155?
The IUPAC name of CID 59629155 (CID 59629155) is not available.
What is the SMILES notation for CID 59629155?
The canonical SMILES for CID 59629155 is O[B]Oc1ccc(-c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of CID 59629155?
The InChIKey is AKCXSMXOBPDTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BO2/c22-21-23-16-11-9-14(10-12-16)20-13-15-5-1-2-6-17(15)18-7-3-4-8-19(18)20/h1-13,22H.
What are the key properties of CID 59629155?
CID 59629155 has a molecular weight of 297.14 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59629155 is sourced from PubChem (CID 59629155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).