1-(3-phosphanylphenyl)propan-2-one

C9H11OP — CID 142179381

IUPAC1-(3-phosphanylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(P)c1
InChIInChI=1S/C9H11OP/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6H,5,11H2,1H3
InChIKeyONSUNQUYWWXKHZ-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.32
Rot. Bonds2

About 1-(3-phosphanylphenyl)propan-2-one

1-(3-phosphanylphenyl)propan-2-one (PubChem CID 142179381) has the molecular formula C9H11OP and a molecular weight of 166.16 g/mol. Its IUPAC name is 1-(3-phosphanylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-phosphanylphenyl)propan-2-one
PubChem CID142179381
Molecular FormulaC9H11OP
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name1-(3-phosphanylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(P)c1
InChIInChI=1S/C9H11OP/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6H,5,11H2,1H3
InChIKeyONSUNQUYWWXKHZ-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
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-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-acetylphenyl)propan-2-one
CID 12950417
benzene;1-phenylpropan-2-one
CID 21430852
1-(3-methylsulfanylphenyl)propan-2-one
CID 53248151
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 84665532
1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one
CID 163630604
1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane
CID 142914280
1-(3-benzoylphenyl)propan-2-one;ethane
CID 144625692
1-[3-(1-fluoroethyl)phenyl]propan-2-one
CID 84657401
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114916
1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114961

Frequently Asked Questions

What is the IUPAC name of 1-(3-phosphanylphenyl)propan-2-one?
The IUPAC name of 1-(3-phosphanylphenyl)propan-2-one (CID 142179381) is 1-(3-phosphanylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-phosphanylphenyl)propan-2-one?
The canonical SMILES for 1-(3-phosphanylphenyl)propan-2-one is CC(=O)Cc1cccc(P)c1.
What is the InChIKey of 1-(3-phosphanylphenyl)propan-2-one?
The InChIKey is ONSUNQUYWWXKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11OP/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6H,5,11H2,1H3.
What are the key properties of 1-(3-phosphanylphenyl)propan-2-one?
1-(3-phosphanylphenyl)propan-2-one has a molecular weight of 166.16 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phosphanylphenyl)propan-2-one is sourced from PubChem (CID 142179381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).