6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one

C24H25O2P — CID 11349379

IUPAC6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCO
InChIInChI=1S/C24H25O2P/c25-19-11-10-12-21(26)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,13-18,20,25H,10-12,19H2
InChIKeyVAWSUDUNYNHPBJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.51
Rot. Bonds8

About 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one

6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one (PubChem CID 11349379) has the molecular formula C24H25O2P and a molecular weight of 376.44 g/mol. Its IUPAC name is 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one.

Molecular Properties

Compound Name6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one
PubChem CID11349379
Molecular FormulaC24H25O2P
Molecular Weight376.44 g/mol
Exact Mass376.16
IUPAC Name6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCO
InChIInChI=1S/C24H25O2P/c25-19-11-10-12-21(26)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,13-18,20,25H,10-12,19H2
InChIKeyVAWSUDUNYNHPBJ-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.51
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 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one
CID 12923548
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
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
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
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
4-hydroxy-N-(4-phenylphenyl)butanamide
CID 79192454
prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate
CID 3653816

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one?
The IUPAC name of 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one (CID 11349379) is 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one.
What is the SMILES notation for 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one?
The canonical SMILES for 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one is O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCCCO.
What is the InChIKey of 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one?
The InChIKey is VAWSUDUNYNHPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O2P/c25-19-11-10-12-21(26)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,13-18,20,25H,10-12,19H2.
What are the key properties of 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one?
6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one has a molecular weight of 376.44 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(triphenyl-λ5-phosphanylidene)hexan-2-one is sourced from PubChem (CID 11349379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).