molecular hydrogen;phenylphosphane

C6H11P — CID 174185576

IUPACmolecular hydrogen;phenylphosphane
SMILESPc1ccccc1.[H][H].[H][H]
InChIInChI=1S/C6H7P.2H2/c7-6-4-2-1-3-5-6;;/h1-5H,7H2;2*1H
InChIKeyYMTNDSNZFWOQRF-UHFFFAOYSA-N
MW114.13 g/mol
LogP1.68
Rot. Bonds

About molecular hydrogen;phenylphosphane

molecular hydrogen;phenylphosphane (PubChem CID 174185576) has the molecular formula C6H11P and a molecular weight of 114.13 g/mol. Its IUPAC name is molecular hydrogen;phenylphosphane.

Molecular Properties

Compound Namemolecular hydrogen;phenylphosphane
PubChem CID174185576
Molecular FormulaC6H11P
Molecular Weight114.13 g/mol
Exact Mass114.06
IUPAC Namemolecular hydrogen;phenylphosphane
SMILESPc1ccccc1.[H][H].[H][H]
InChIInChI=1S/C6H7P.2H2/c7-6-4-2-1-3-5-6;;/h1-5H,7H2;2*1H
InChIKeyYMTNDSNZFWOQRF-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.13
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze molecular hydrogen;phenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;phenylphosphane?
The IUPAC name of molecular hydrogen;phenylphosphane (CID 174185576) is molecular hydrogen;phenylphosphane.
What is the SMILES notation for molecular hydrogen;phenylphosphane?
The canonical SMILES for molecular hydrogen;phenylphosphane is Pc1ccccc1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;phenylphosphane?
The InChIKey is YMTNDSNZFWOQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7P.2H2/c7-6-4-2-1-3-5-6;;/h1-5H,7H2;2*1H.
What are the key properties of molecular hydrogen;phenylphosphane?
molecular hydrogen;phenylphosphane has a molecular weight of 114.13 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;phenylphosphane is sourced from PubChem (CID 174185576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).