1-(2-phosphanylphenyl)propan-1-one

C9H11OP — CID 143391077

IUPAC1-(2-phosphanylphenyl)propan-1-one
SMILESCCC(=O)c1ccccc1P
InChIInChI=1S/C9H11OP/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6H,2,11H2,1H3
InChIKeyGUSZNVLDLQZRIG-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.78
Rot. Bonds2

About 1-(2-phosphanylphenyl)propan-1-one

1-(2-phosphanylphenyl)propan-1-one (PubChem CID 143391077) has the molecular formula C9H11OP and a molecular weight of 166.16 g/mol. Its IUPAC name is 1-(2-phosphanylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-phosphanylphenyl)propan-1-one
PubChem CID143391077
Molecular FormulaC9H11OP
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name1-(2-phosphanylphenyl)propan-1-one
SMILESCCC(=O)c1ccccc1P
InChIInChI=1S/C9H11OP/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6H,2,11H2,1H3
InChIKeyGUSZNVLDLQZRIG-UHFFFAOYSA-N
XLogP1.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.78
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

1-[2-(bromomethyl)phenyl]propan-1-one
CID 68951080
2-(2-propanoylphenyl)benzoic acid
CID 15194783
methyl 2-phosphanylbenzoate
CID 156736008
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-[2-[(Z)-prop-1-enyl]phenyl]propan-1-one
CID 164913701
2-propanoylbenzenesulfinate
CID 138671512
1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane
CID 91487886
1-[2-(methyldisulfanyl)phenyl]propan-1-one
CID 174805694
1-phenyl(111C)propan-1-one
CID 11159350
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
1-(2,3-diaminophenyl)propan-1-one
CID 14773132

Frequently Asked Questions

What is the IUPAC name of 1-(2-phosphanylphenyl)propan-1-one?
The IUPAC name of 1-(2-phosphanylphenyl)propan-1-one (CID 143391077) is 1-(2-phosphanylphenyl)propan-1-one.
What is the SMILES notation for 1-(2-phosphanylphenyl)propan-1-one?
The canonical SMILES for 1-(2-phosphanylphenyl)propan-1-one is CCC(=O)c1ccccc1P.
What is the InChIKey of 1-(2-phosphanylphenyl)propan-1-one?
The InChIKey is GUSZNVLDLQZRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11OP/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6H,2,11H2,1H3.
What are the key properties of 1-(2-phosphanylphenyl)propan-1-one?
1-(2-phosphanylphenyl)propan-1-one has a molecular weight of 166.16 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phosphanylphenyl)propan-1-one is sourced from PubChem (CID 143391077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).