1-(2-chlorophenyl)-2-phosphanylethanone

C8H8ClOP — CID 144986578

IUPAC1-(2-chlorophenyl)-2-phosphanylethanone
SMILESO=C(CP)c1ccccc1Cl
InChIInChI=1S/C8H8ClOP/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4H,5,11H2
InChIKeyJUAMYRRYBHHBQV-UHFFFAOYSA-N
MW186.58 g/mol
LogP2.40
Rot. Bonds2

About 1-(2-chlorophenyl)-2-phosphanylethanone

1-(2-chlorophenyl)-2-phosphanylethanone (PubChem CID 144986578) has the molecular formula C8H8ClOP and a molecular weight of 186.58 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-phosphanylethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-phosphanylethanone
PubChem CID144986578
Molecular FormulaC8H8ClOP
Molecular Weight186.58 g/mol
Exact Mass186.00
IUPAC Name1-(2-chlorophenyl)-2-phosphanylethanone
SMILESO=C(CP)c1ccccc1Cl
InChIInChI=1S/C8H8ClOP/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4H,5,11H2
InChIKeyJUAMYRRYBHHBQV-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.58
LogP ≤ 52.40
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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-phosphanylethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-phosphanylethanone (CID 144986578) is 1-(2-chlorophenyl)-2-phosphanylethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-phosphanylethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-phosphanylethanone is O=C(CP)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-phosphanylethanone?
The InChIKey is JUAMYRRYBHHBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClOP/c9-7-4-2-1-3-6(7)8(10)5-11/h1-4H,5,11H2.
What are the key properties of 1-(2-chlorophenyl)-2-phosphanylethanone?
1-(2-chlorophenyl)-2-phosphanylethanone has a molecular weight of 186.58 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-phosphanylethanone is sourced from PubChem (CID 144986578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).