CID 58850517

C14H14BP- — CID 58850517

IUPAC—
SMILES[B-]P(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C14H14BP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3/q-1
InChIKeyFRVGUTFVMFKWFU-UHFFFAOYSA-N
MW224.05 g/mol
LogP2.82
Rot. Bonds2

About CID 58850517

CID 58850517 (PubChem CID 58850517) has the molecular formula C14H14BP- and a molecular weight of 224.05 g/mol.

Molecular Properties

Compound NameCID 58850517
PubChem CID58850517
Molecular FormulaC14H14BP-
Molecular Weight224.05 g/mol
Exact Mass224.09
IUPAC Name—
SMILES[B-]P(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C14H14BP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3/q-1
InChIKeyFRVGUTFVMFKWFU-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 52.82
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 58850517?
The IUPAC name of CID 58850517 (CID 58850517) is not available.
What is the SMILES notation for CID 58850517?
The canonical SMILES for CID 58850517 is [B-]P(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of CID 58850517?
The InChIKey is FRVGUTFVMFKWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BP/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3/q-1.
What are the key properties of CID 58850517?
CID 58850517 has a molecular weight of 224.05 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58850517 is sourced from PubChem (CID 58850517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).