CID 16688772

C13H13BP — CID 16688772

IUPAC—
SMILES[B].c1ccc(CPc2ccccc2)cc1
InChIInChI=1S/C13H13P.B/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;/h1-10,14H,11H2;
InChIKeyDUCPFSRJKBGCJE-UHFFFAOYSA-N
MW211.03 g/mol
LogP2.81
Rot. Bonds3

About CID 16688772

CID 16688772 (PubChem CID 16688772) has the molecular formula C13H13BP and a molecular weight of 211.03 g/mol.

Molecular Properties

Compound NameCID 16688772
PubChem CID16688772
Molecular FormulaC13H13BP
Molecular Weight211.03 g/mol
Exact Mass211.08
IUPAC Name—
SMILES[B].c1ccc(CPc2ccccc2)cc1
InChIInChI=1S/C13H13P.B/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;/h1-10,14H,11H2;
InChIKeyDUCPFSRJKBGCJE-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.03
LogP ≤ 52.81
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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Related Compounds

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CID 150809826
(2,2-dimethyl-3-phenylphosphanylpropyl)-phenylphosphane
CID 87575767
ethane;ethyl(phenyl)phosphane;neodymium
CID 87739299
dibenzylphosphane;dichloropalladium;iron
CID 175421124
benzyl(trifluoromethyl)phosphane
CID 21096687
methylsilylmethyl(phenyl)phosphane
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N-benzylphosphanylmethanamine
CID 5035277

Frequently Asked Questions

What is the IUPAC name of CID 16688772?
The IUPAC name of CID 16688772 (CID 16688772) is not available.
What is the SMILES notation for CID 16688772?
The canonical SMILES for CID 16688772 is [B].c1ccc(CPc2ccccc2)cc1.
What is the InChIKey of CID 16688772?
The InChIKey is DUCPFSRJKBGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13P.B/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;/h1-10,14H,11H2;.
What are the key properties of CID 16688772?
CID 16688772 has a molecular weight of 211.03 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16688772 is sourced from PubChem (CID 16688772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).