CID 19922556

C17H15BP — CID 19922556

IUPAC—
SMILESCP(c1ccccc1)c1ccc2ccccc2c1.[B]
InChIInChI=1S/C17H15P.B/c1-18(16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17;/h2-13H,1H3;
InChIKeyHGCAUXIHBXGGQW-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.52
Rot. Bonds2

About CID 19922556

CID 19922556 (PubChem CID 19922556) has the molecular formula C17H15BP and a molecular weight of 261.09 g/mol.

Molecular Properties

Compound NameCID 19922556
PubChem CID19922556
Molecular FormulaC17H15BP
Molecular Weight261.09 g/mol
Exact Mass261.10
IUPAC Name—
SMILESCP(c1ccccc1)c1ccc2ccccc2c1.[B]
InChIInChI=1S/C17H15P.B/c1-18(16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17;/h2-13H,1H3;
InChIKeyHGCAUXIHBXGGQW-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19922556?
The IUPAC name of CID 19922556 (CID 19922556) is not available.
What is the SMILES notation for CID 19922556?
The canonical SMILES for CID 19922556 is CP(c1ccccc1)c1ccc2ccccc2c1.[B].
What is the InChIKey of CID 19922556?
The InChIKey is HGCAUXIHBXGGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15P.B/c1-18(16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17;/h2-13H,1H3;.
What are the key properties of CID 19922556?
CID 19922556 has a molecular weight of 261.09 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19922556 is sourced from PubChem (CID 19922556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).