(E)-4-phenylphosphanylpent-3-en-2-one

C11H13OP — CID 16703012

IUPAC(E)-4-phenylphosphanylpent-3-en-2-one
SMILESCC(=O)/C=C(\C)Pc1ccccc1
InChIInChI=1S/C11H13OP/c1-9(12)8-10(2)13-11-6-4-3-5-7-11/h3-8,13H,1-2H3/b10-8+
InChIKeyRQRXYUXRLHWKJT-CSKARUKUSA-N
MW192.20 g/mol
LogP2.48
Rot. Bonds3

About (E)-4-phenylphosphanylpent-3-en-2-one

(E)-4-phenylphosphanylpent-3-en-2-one (PubChem CID 16703012) has the molecular formula C11H13OP and a molecular weight of 192.20 g/mol. Its IUPAC name is (E)-4-phenylphosphanylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-phenylphosphanylpent-3-en-2-one
PubChem CID16703012
Molecular FormulaC11H13OP
Molecular Weight192.20 g/mol
Exact Mass192.07
IUPAC Name(E)-4-phenylphosphanylpent-3-en-2-one
SMILESCC(=O)/C=C(\C)Pc1ccccc1
InChIInChI=1S/C11H13OP/c1-9(12)8-10(2)13-11-6-4-3-5-7-11/h3-8,13H,1-2H3/b10-8+
InChIKeyRQRXYUXRLHWKJT-CSKARUKUSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-4-phosphorinanone
CID 4460416
2-Propanone, 1-(phenylseleno)-
CID 5323798
4-Phenylselanylbutan-2-one
CID 12531636
(Phenyltelluro)oct-2-en-1-one
CID 15442318
1-[Dimethyl(phenyl)germyl]ethan-1-one
CID 21718448
3-Pentanone, 2-(phenylseleno)-
CID 10868423
1-Diphenylphosphanylpropan-1-one
CID 15810556
Benzene methyl ketone
CID 22015841
2,2,2-Trifluoro-1-[methyl(phenyl)phosphanyl]ethanone
CID 12467202
1-Phenyl-1-thioxo-phosphinan-4-one
CID 614145
3-Methyl-1-phenylphosphanyl-butan-1-one
CID 23414225
1-[Methyl(phenyl)phosphoryl]ethanone
CID 12467203

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenylphosphanylpent-3-en-2-one?
The IUPAC name of (E)-4-phenylphosphanylpent-3-en-2-one (CID 16703012) is (E)-4-phenylphosphanylpent-3-en-2-one.
What is the SMILES notation for (E)-4-phenylphosphanylpent-3-en-2-one?
The canonical SMILES for (E)-4-phenylphosphanylpent-3-en-2-one is CC(=O)/C=C(\C)Pc1ccccc1.
What is the InChIKey of (E)-4-phenylphosphanylpent-3-en-2-one?
The InChIKey is RQRXYUXRLHWKJT-CSKARUKUSA-N. The full InChI is InChI=1S/C11H13OP/c1-9(12)8-10(2)13-11-6-4-3-5-7-11/h3-8,13H,1-2H3/b10-8+.
What are the key properties of (E)-4-phenylphosphanylpent-3-en-2-one?
(E)-4-phenylphosphanylpent-3-en-2-one has a molecular weight of 192.20 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenylphosphanylpent-3-en-2-one is sourced from PubChem (CID 16703012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).