5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one

C23H23O2P — CID 12923548

IUPAC5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCCO
InChIInChI=1S/C23H23O2P/c24-18-10-11-20(25)19-26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,19,24H,10-11,18H2
InChIKeyPIIILBMTQAKHJF-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.12
Rot. Bonds7

About 5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one

5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one (PubChem CID 12923548) has the molecular formula C23H23O2P and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one
PubChem CID12923548
Molecular FormulaC23H23O2P
Molecular Weight362.41 g/mol
Exact Mass362.14
IUPAC Name5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCCO
InChIInChI=1S/C23H23O2P/c24-18-10-11-20(25)19-26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,19,24H,10-11,18H2
InChIKeyPIIILBMTQAKHJF-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one
CID 11349379
14-oxo-15-(triphenyl-λ5-phosphanylidene)pentadec-9-enal
CID 71328578
methyl 4-oxo-5-(triphenyl-λ5-phosphanylidene)pentanoate;hydrobromide
CID 146120929
[tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 174911876
1-but-2-enoxy-3-(triphenyl-λ5-phosphanylidene)propan-2-one
CID 71324829
4-hydroxy-N-(4-phenylphenyl)butanamide
CID 79192454
5-methoxy-4-methyl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one
CID 123539955
methyl (3S)-3-hydroxy-5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 129011469
[(E)-but-2-enyl] 2-(triphenyl-λ5-phosphanylidene)acetate
CID 102278127
prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate
CID 3653816
1-(3-chlorophenoxy)-3-(triphenyl-λ5-phosphanylidene)propan-2-one
CID 22629947
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one?
The IUPAC name of 5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one (CID 12923548) is 5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one.
What is the SMILES notation for 5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one?
The canonical SMILES for 5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one is O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCCO.
What is the InChIKey of 5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one?
The InChIKey is PIIILBMTQAKHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O2P/c24-18-10-11-20(25)19-26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,19,24H,10-11,18H2.
What are the key properties of 5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one?
5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one has a molecular weight of 362.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one is sourced from PubChem (CID 12923548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).