4-phenyl-4-phosphanylbutan-2-one

C10H13OP — CID 175348302

IUPAC4-phenyl-4-phosphanylbutan-2-one
SMILESCC(=O)CC(P)c1ccccc1
InChIInChI=1S/C10H13OP/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3
InChIKeyAPSUVMPDQZDYDB-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.58
Rot. Bonds3

About 4-phenyl-4-phosphanylbutan-2-one

4-phenyl-4-phosphanylbutan-2-one (PubChem CID 175348302) has the molecular formula C10H13OP and a molecular weight of 180.19 g/mol. Its IUPAC name is 4-phenyl-4-phosphanylbutan-2-one.

Molecular Properties

Compound Name4-phenyl-4-phosphanylbutan-2-one
PubChem CID175348302
Molecular FormulaC10H13OP
Molecular Weight180.19 g/mol
Exact Mass180.07
IUPAC Name4-phenyl-4-phosphanylbutan-2-one
SMILESCC(=O)CC(P)c1ccccc1
InChIInChI=1S/C10H13OP/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3
InChIKeyAPSUVMPDQZDYDB-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
4-[tert-butyl(dimethyl)silyl]-4-phenylbutan-2-one
CID 552492
1,2-diphenylpentane-1,4-dione
CID 13184730
1,2,3-triphenylhexane-1,5-dione
CID 538859
(3R)-5-oxo-3-phenylhexanenitrile
CID 134857504
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
dimethyl-(2-oxo-1-phenylpropyl)sulfanium
CID 58905989
3-benzylhexane-2,5-dione
CID 58379257
4-oxo-3-phenylpentanoate
CID 78435368

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-phosphanylbutan-2-one?
The IUPAC name of 4-phenyl-4-phosphanylbutan-2-one (CID 175348302) is 4-phenyl-4-phosphanylbutan-2-one.
What is the SMILES notation for 4-phenyl-4-phosphanylbutan-2-one?
The canonical SMILES for 4-phenyl-4-phosphanylbutan-2-one is CC(=O)CC(P)c1ccccc1.
What is the InChIKey of 4-phenyl-4-phosphanylbutan-2-one?
The InChIKey is APSUVMPDQZDYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13OP/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3.
What are the key properties of 4-phenyl-4-phosphanylbutan-2-one?
4-phenyl-4-phosphanylbutan-2-one has a molecular weight of 180.19 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-phosphanylbutan-2-one is sourced from PubChem (CID 175348302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).