phosphinan-2-ylmethanol

C6H13OP — CID 130394482

IUPACphosphinan-2-ylmethanol
SMILESOCC1CCCCP1
InChIInChI=1S/C6H13OP/c7-5-6-3-1-2-4-8-6/h6-8H,1-5H2
InChIKeyYAOMVORLELJDCE-UHFFFAOYSA-N
MW132.14 g/mol
LogP1.21
Rot. Bonds1

About phosphinan-2-ylmethanol

phosphinan-2-ylmethanol (PubChem CID 130394482) has the molecular formula C6H13OP and a molecular weight of 132.14 g/mol. Its IUPAC name is phosphinan-2-ylmethanol.

Molecular Properties

Compound Namephosphinan-2-ylmethanol
PubChem CID130394482
Molecular FormulaC6H13OP
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Namephosphinan-2-ylmethanol
SMILESOCC1CCCCP1
InChIInChI=1S/C6H13OP/c7-5-6-3-1-2-4-8-6/h6-8H,1-5H2
InChIKeyYAOMVORLELJDCE-UHFFFAOYSA-N
XLogP1.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze phosphinan-2-ylmethanol 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 phosphinan-2-ylmethanol?
The IUPAC name of phosphinan-2-ylmethanol (CID 130394482) is phosphinan-2-ylmethanol.
What is the SMILES notation for phosphinan-2-ylmethanol?
The canonical SMILES for phosphinan-2-ylmethanol is OCC1CCCCP1.
What is the InChIKey of phosphinan-2-ylmethanol?
The InChIKey is YAOMVORLELJDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OP/c7-5-6-3-1-2-4-8-6/h6-8H,1-5H2.
What are the key properties of phosphinan-2-ylmethanol?
phosphinan-2-ylmethanol has a molecular weight of 132.14 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphinan-2-ylmethanol is sourced from PubChem (CID 130394482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).