hexylphosphane;phenol

C12H21OP — CID 174816842

IUPAChexylphosphane;phenol
SMILESCCCCCCP.Oc1ccccc1
InChIInChI=1S/C6H6O.C6H15P/c7-6-4-2-1-3-5-6;1-2-3-4-5-6-7/h1-5,7H;2-7H2,1H3
InChIKeyTYIINCMBAONVRG-UHFFFAOYSA-N
MW212.27 g/mol
LogP3.83
Rot. Bonds4

About hexylphosphane;phenol

hexylphosphane;phenol (PubChem CID 174816842) has the molecular formula C12H21OP and a molecular weight of 212.27 g/mol. Its IUPAC name is hexylphosphane;phenol.

Molecular Properties

Compound Namehexylphosphane;phenol
PubChem CID174816842
Molecular FormulaC12H21OP
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Namehexylphosphane;phenol
SMILESCCCCCCP.Oc1ccccc1
InChIInChI=1S/C6H6O.C6H15P/c7-6-4-2-1-3-5-6;1-2-3-4-5-6-7/h1-5,7H;2-7H2,1H3
InChIKeyTYIINCMBAONVRG-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hexylphosphane;phenol?
The IUPAC name of hexylphosphane;phenol (CID 174816842) is hexylphosphane;phenol.
What is the SMILES notation for hexylphosphane;phenol?
The canonical SMILES for hexylphosphane;phenol is CCCCCCP.Oc1ccccc1.
What is the InChIKey of hexylphosphane;phenol?
The InChIKey is TYIINCMBAONVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C6H15P/c7-6-4-2-1-3-5-6;1-2-3-4-5-6-7/h1-5,7H;2-7H2,1H3.
What are the key properties of hexylphosphane;phenol?
hexylphosphane;phenol has a molecular weight of 212.27 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexylphosphane;phenol is sourced from PubChem (CID 174816842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).