3-diphenylphosphorylbutan-1-ol

C16H19O2P — CID 13198853

IUPAC3-diphenylphosphorylbutan-1-ol
SMILESCC(CCO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19O2P/c1-14(12-13-17)19(18,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKeyAQHAHANFGCEDDW-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.77
Rot. Bonds5

About 3-diphenylphosphorylbutan-1-ol

3-diphenylphosphorylbutan-1-ol (PubChem CID 13198853) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-diphenylphosphorylbutan-1-ol.

Molecular Properties

Compound Name3-diphenylphosphorylbutan-1-ol
PubChem CID13198853
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-diphenylphosphorylbutan-1-ol
SMILESCC(CCO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19O2P/c1-14(12-13-17)19(18,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKeyAQHAHANFGCEDDW-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphorylbutan-1-ol?
The IUPAC name of 3-diphenylphosphorylbutan-1-ol (CID 13198853) is 3-diphenylphosphorylbutan-1-ol.
What is the SMILES notation for 3-diphenylphosphorylbutan-1-ol?
The canonical SMILES for 3-diphenylphosphorylbutan-1-ol is CC(CCO)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphorylbutan-1-ol?
The InChIKey is AQHAHANFGCEDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-14(12-13-17)19(18,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3.
What are the key properties of 3-diphenylphosphorylbutan-1-ol?
3-diphenylphosphorylbutan-1-ol has a molecular weight of 274.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphorylbutan-1-ol is sourced from PubChem (CID 13198853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).