phenylphosphane;phthalic acid

C22H19O8P — CID 162050556

IUPACphenylphosphane;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.Pc1ccccc1
InChIInChI=1S/2C8H6O4.C6H7P/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;7-6-4-2-1-3-5-6/h2*1-4H,(H,9,10)(H,11,12);1-5H,7H2
InChIKeyYYMLKMKPDYKLGM-UHFFFAOYSA-N
MW442.36 g/mol
LogP3.35
Rot. Bonds4

About phenylphosphane;phthalic acid

phenylphosphane;phthalic acid (PubChem CID 162050556) has the molecular formula C22H19O8P and a molecular weight of 442.36 g/mol. Its IUPAC name is phenylphosphane;phthalic acid.

Molecular Properties

Compound Namephenylphosphane;phthalic acid
PubChem CID162050556
Molecular FormulaC22H19O8P
Molecular Weight442.36 g/mol
Exact Mass442.08
IUPAC Namephenylphosphane;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.Pc1ccccc1
InChIInChI=1S/2C8H6O4.C6H7P/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;7-6-4-2-1-3-5-6/h2*1-4H,(H,9,10)(H,11,12);1-5H,7H2
InChIKeyYYMLKMKPDYKLGM-UHFFFAOYSA-N
XLogP3.35
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phthalic Acid
CID 1017
Monobenzyl phthalate
CID 31736
Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-
CID 39302
2-Benzoylbenzoic Acid
CID 6813
Potassium hydrogen phthalate
CID 23676735
Benzoic acid, 2-(diphenylphosphino)-
CID 87021
o-Benzylbenzoic acid
CID 11924
Dibenzyl phthalate
CID 220773
Ortho-(1-naphthoyl)benzoic acid
CID 78723
Monoperoxyphthalic acid
CID 75329
4-Fluorobenzene-1,2-dicarboxylic acid
CID 15312
Diphenic acid
CID 10210

Frequently Asked Questions

What is the IUPAC name of phenylphosphane;phthalic acid?
The IUPAC name of phenylphosphane;phthalic acid (CID 162050556) is phenylphosphane;phthalic acid.
What is the SMILES notation for phenylphosphane;phthalic acid?
The canonical SMILES for phenylphosphane;phthalic acid is O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.Pc1ccccc1.
What is the InChIKey of phenylphosphane;phthalic acid?
The InChIKey is YYMLKMKPDYKLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6O4.C6H7P/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;7-6-4-2-1-3-5-6/h2*1-4H,(H,9,10)(H,11,12);1-5H,7H2.
What are the key properties of phenylphosphane;phthalic acid?
phenylphosphane;phthalic acid has a molecular weight of 442.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylphosphane;phthalic acid is sourced from PubChem (CID 162050556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).