(2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium

C10H10O7P+ — CID 67639129

IUPAC(2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium
SMILESCCOC(=O)c1ccccc1OC(=O)O[P+](=O)O
InChIInChI=1S/C10H9O7P/c1-2-15-9(11)7-5-3-4-6-8(7)16-10(12)17-18(13)14/h3-6H,2H2,1H3/p+1
InChIKeyBWMZQJBDFCUNDE-UHFFFAOYSA-O
MW273.16 g/mol
LogP2.03
Rot. Bonds4

About (2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium

(2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium (PubChem CID 67639129) has the molecular formula C10H10O7P+ and a molecular weight of 273.16 g/mol. Its IUPAC name is (2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium
PubChem CID67639129
Molecular FormulaC10H10O7P+
Molecular Weight273.16 g/mol
Exact Mass273.02
IUPAC Name(2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium
SMILESCCOC(=O)c1ccccc1OC(=O)O[P+](=O)O
InChIInChI=1S/C10H9O7P/c1-2-15-9(11)7-5-3-4-6-8(7)16-10(12)17-18(13)14/h3-6H,2H2,1H3/p+1
InChIKeyBWMZQJBDFCUNDE-UHFFFAOYSA-O
XLogP2.03
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-(2,2-dimethylpropanoyloxy)benzoate
CID 71314327
chloromethoxycarbonyl 2-ethoxycarbonyloxybenzoate
CID 144553181
ethyl 2-(2-fluorobenzoyl)oxybenzoate
CID 23011835
4-(2-ethoxycarbonylphenoxy)carbonylbenzoate
CID 18428931
ethyl 2-acetyloxybenzoate;pyridine
CID 174842838
ethyl 2-[(3Z)-hexa-1,3,5-trien-2-yl]oxycarbonyloxybenzoate
CID 142219479
ethyl 2-(4-naphthalen-1-ylphenoxy)carbonyloxybenzoate
CID 21467830
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
ethyl 2-(cyclohexanecarbonyloxy)benzoate
CID 151472911

Frequently Asked Questions

What is the IUPAC name of (2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium?
The IUPAC name of (2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium (CID 67639129) is (2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium.
What is the SMILES notation for (2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium?
The canonical SMILES for (2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium is CCOC(=O)c1ccccc1OC(=O)O[P+](=O)O.
What is the InChIKey of (2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium?
The InChIKey is BWMZQJBDFCUNDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9O7P/c1-2-15-9(11)7-5-3-4-6-8(7)16-10(12)17-18(13)14/h3-6H,2H2,1H3/p+1.
What are the key properties of (2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium?
(2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium has a molecular weight of 273.16 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxycarbonylphenoxy)carbonyloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 67639129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).