CID 134866137

C17H19BOP+ — CID 134866137

IUPAC—
SMILES[B][P+](c1ccccc1)(c1ccccc1)[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C17H19BOP/c18-20(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-12-11-14(19)13-17/h1-10,14,17,19H,11-13H2/q+1/t14-,17+/m1/s1
InChIKeyIINCLCDGCPDMBA-PBHICJAKSA-N
MW281.12 g/mol
LogP2.65
Rot. Bonds3

About CID 134866137

CID 134866137 (PubChem CID 134866137) has the molecular formula C17H19BOP+ and a molecular weight of 281.12 g/mol.

Molecular Properties

Compound NameCID 134866137
PubChem CID134866137
Molecular FormulaC17H19BOP+
Molecular Weight281.12 g/mol
Exact Mass281.13
IUPAC Name—
SMILES[B][P+](c1ccccc1)(c1ccccc1)[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C17H19BOP/c18-20(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-12-11-14(19)13-17/h1-10,14,17,19H,11-13H2/q+1/t14-,17+/m1/s1
InChIKeyIINCLCDGCPDMBA-PBHICJAKSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 134866137?
The IUPAC name of CID 134866137 (CID 134866137) is not available.
What is the SMILES notation for CID 134866137?
The canonical SMILES for CID 134866137 is [B][P+](c1ccccc1)(c1ccccc1)[C@H]1CC[C@@H](O)C1.
What is the InChIKey of CID 134866137?
The InChIKey is IINCLCDGCPDMBA-PBHICJAKSA-N. The full InChI is InChI=1S/C17H19BOP/c18-20(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-12-11-14(19)13-17/h1-10,14,17,19H,11-13H2/q+1/t14-,17+/m1/s1.
What are the key properties of CID 134866137?
CID 134866137 has a molecular weight of 281.12 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134866137 is sourced from PubChem (CID 134866137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).