4-diphenylphosphorylbutan-1-ol

C16H19O2P — CID 612033

IUPAC4-diphenylphosphorylbutan-1-ol
SMILESO=P(CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19O2P/c17-13-7-8-14-19(18,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2
InChIKeyYDKINOSCDDTOHD-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.77
Rot. Bonds6

About 4-diphenylphosphorylbutan-1-ol

4-diphenylphosphorylbutan-1-ol (PubChem CID 612033) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-diphenylphosphorylbutan-1-ol.

Molecular Properties

Compound Name4-diphenylphosphorylbutan-1-ol
PubChem CID612033
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-diphenylphosphorylbutan-1-ol
SMILESO=P(CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19O2P/c17-13-7-8-14-19(18,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2
InChIKeyYDKINOSCDDTOHD-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-diphenylphosphorylbutan-1-ol 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 4-diphenylphosphorylbutan-1-ol?
The IUPAC name of 4-diphenylphosphorylbutan-1-ol (CID 612033) is 4-diphenylphosphorylbutan-1-ol.
What is the SMILES notation for 4-diphenylphosphorylbutan-1-ol?
The canonical SMILES for 4-diphenylphosphorylbutan-1-ol is O=P(CCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphorylbutan-1-ol?
The InChIKey is YDKINOSCDDTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c17-13-7-8-14-19(18,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2.
What are the key properties of 4-diphenylphosphorylbutan-1-ol?
4-diphenylphosphorylbutan-1-ol has a molecular weight of 274.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphorylbutan-1-ol is sourced from PubChem (CID 612033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).