dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid

C10H15O8P2+ — CID 87815910

IUPACdihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid
SMILESCOC(=O)c1ccc(CCP(=O)(O)O)cc1.O=[P+](O)O
InChIInChI=1S/C10H13O5P.HO3P/c1-15-10(11)9-4-2-8(3-5-9)6-7-16(12,13)14;1-4(2)3/h2-5H,6-7H2,1H3,(H2,12,13,14);(H-,1,2,3)/p+1
InChIKeyHSUDMUOXBHLABL-UHFFFAOYSA-O
MW325.17 g/mol
LogP0.82
Rot. Bonds4

About dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid

dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid (PubChem CID 87815910) has the molecular formula C10H15O8P2+ and a molecular weight of 325.17 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid
PubChem CID87815910
Molecular FormulaC10H15O8P2+
Molecular Weight325.17 g/mol
Exact Mass325.02
IUPAC Namedihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid
SMILESCOC(=O)c1ccc(CCP(=O)(O)O)cc1.O=[P+](O)O
InChIInChI=1S/C10H13O5P.HO3P/c1-15-10(11)9-4-2-8(3-5-9)6-7-16(12,13)14;1-4(2)3/h2-5H,6-7H2,1H3,(H2,12,13,14);(H-,1,2,3)/p+1
InChIKeyHSUDMUOXBHLABL-UHFFFAOYSA-O
XLogP0.82
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 50.82
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

methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672
2-(4-methoxycarbonylphenyl)ethanesulfonic acid
CID 46835733
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
[4-[2-(4-methoxycarbonylphenyl)propan-2-yl]phenyl]methylphosphonic acid
CID 66841765
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347
methyl 4-[(4-aminophenyl)methyl]benzoate
CID 68972848
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
CID 122582432
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid?
The IUPAC name of dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid (CID 87815910) is dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid.
What is the SMILES notation for dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid?
The canonical SMILES for dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid is COC(=O)c1ccc(CCP(=O)(O)O)cc1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid?
The InChIKey is HSUDMUOXBHLABL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13O5P.HO3P/c1-15-10(11)9-4-2-8(3-5-9)6-7-16(12,13)14;1-4(2)3/h2-5H,6-7H2,1H3,(H2,12,13,14);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid?
dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid has a molecular weight of 325.17 g/mol, XLogP of 0.82, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;2-(4-methoxycarbonylphenyl)ethylphosphonic acid is sourced from PubChem (CID 87815910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).