acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium

C10H13O3PPd — CID 88653757

IUPACacetic acid;(2-methylphenyl)-phosphanylmethanone;palladium
SMILESCC(=O)O.Cc1ccccc1C(=O)P.[Pd]
InChIInChI=1S/C8H9OP.C2H4O2.Pd/c1-6-4-2-3-5-7(6)8(9)10;1-2(3)4;/h2-5H,10H2,1H3;1H3,(H,3,4);
InChIKeyJFIBLHYCYJGZQS-UHFFFAOYSA-N
MW318.61 g/mol
LogP2.10
Rot. Bonds1

About acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium

acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium (PubChem CID 88653757) has the molecular formula C10H13O3PPd and a molecular weight of 318.61 g/mol. Its IUPAC name is acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium.

Molecular Properties

Compound Nameacetic acid;(2-methylphenyl)-phosphanylmethanone;palladium
PubChem CID88653757
Molecular FormulaC10H13O3PPd
Molecular Weight318.61 g/mol
Exact Mass317.96
IUPAC Nameacetic acid;(2-methylphenyl)-phosphanylmethanone;palladium
SMILESCC(=O)O.Cc1ccccc1C(=O)P.[Pd]
InChIInChI=1S/C8H9OP.C2H4O2.Pd/c1-6-4-2-3-5-7(6)8(9)10;1-2(3)4;/h2-5H,10H2,1H3;1H3,(H,3,4);
InChIKeyJFIBLHYCYJGZQS-UHFFFAOYSA-N
XLogP2.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 68779004
bis(2-methylbenzoic acid);hydrate
CID 69398343
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CID 174483135
ethane;1-(2-methylphenyl)ethanone
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carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
lithium;hydride;2-methylbenzoic acid;N-methylmethanamine
CID 173248738
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
[chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone
CID 150785271
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
tris(2-methylbenzoyl)sulfanium
CID 142714960

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium?
The IUPAC name of acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium (CID 88653757) is acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium.
What is the SMILES notation for acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium?
The canonical SMILES for acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium is CC(=O)O.Cc1ccccc1C(=O)P.[Pd].
What is the InChIKey of acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium?
The InChIKey is JFIBLHYCYJGZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9OP.C2H4O2.Pd/c1-6-4-2-3-5-7(6)8(9)10;1-2(3)4;/h2-5H,10H2,1H3;1H3,(H,3,4);.
What are the key properties of acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium?
acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium has a molecular weight of 318.61 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2-methylphenyl)-phosphanylmethanone;palladium is sourced from PubChem (CID 88653757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).