calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium

C7H7CaO4P+2 — CID 19822606

IUPACcalcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium
SMILESO=[P+]([O-])OCc1ccccc1O.[Ca+2]
InChIInChI=1S/C7H7O4P.Ca/c8-7-4-2-1-3-6(7)5-11-12(9)10;/h1-4,8H,5H2;/q;+2
InChIKeyMEJWZZZDTIQSPH-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.55
Rot. Bonds3

About calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium

calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium (PubChem CID 19822606) has the molecular formula C7H7CaO4P+2 and a molecular weight of 226.18 g/mol. Its IUPAC name is calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium.

Molecular Properties

Compound Namecalcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium
PubChem CID19822606
Molecular FormulaC7H7CaO4P+2
Molecular Weight226.18 g/mol
Exact Mass225.97
IUPAC Namecalcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium
SMILESO=[P+]([O-])OCc1ccccc1O.[Ca+2]
InChIInChI=1S/C7H7O4P.Ca/c8-7-4-2-1-3-6(7)5-11-12(9)10;/h1-4,8H,5H2;/q;+2
InChIKeyMEJWZZZDTIQSPH-UHFFFAOYSA-N
XLogP0.55
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate
CID 53320605
(2-aminophenyl)methoxy-hydroxy-oxophosphanium
CID 149178768
2-(methylsulfinylmethoxymethyl)phenol
CID 134936819
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
benzene;2-ethylphenol
CID 159726745
ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium
CID 125473118
diethyl (2-hydroxyphenyl)methyl phosphate
CID 174892614
2-(2-methoxyethoxymethyl)phenol
CID 21397612
2-(triethylsilyloxymethyl)phenol
CID 12672316
CID 175749710
CID 175749710
sodium 3-(2-hydroxyphenyl)-2-oxopropanoate
CID 118606746

Frequently Asked Questions

What is the IUPAC name of calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium?
The IUPAC name of calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium (CID 19822606) is calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium.
What is the SMILES notation for calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium?
The canonical SMILES for calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium is O=[P+]([O-])OCc1ccccc1O.[Ca+2].
What is the InChIKey of calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium?
The InChIKey is MEJWZZZDTIQSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O4P.Ca/c8-7-4-2-1-3-6(7)5-11-12(9)10;/h1-4,8H,5H2;/q;+2.
What are the key properties of calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium?
calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium has a molecular weight of 226.18 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium (2-hydroxyphenyl)methoxy-oxido-oxophosphanium is sourced from PubChem (CID 19822606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).