(2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate

C22H21O5P — CID 141214958

IUPAC(2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate
SMILESO=C(COP(=O)(Cc1ccccc1)Cc1ccccc1)Oc1ccccc1O
InChIInChI=1S/C22H21O5P/c23-20-13-7-8-14-21(20)27-22(24)15-26-28(25,16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,23H,15-17H2
InChIKeyIAJRUDYEEVONMJ-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.99
Rot. Bonds8

About (2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate

(2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate (PubChem CID 141214958) has the molecular formula C22H21O5P and a molecular weight of 396.38 g/mol. Its IUPAC name is (2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate
PubChem CID141214958
Molecular FormulaC22H21O5P
Molecular Weight396.38 g/mol
Exact Mass396.11
IUPAC Name(2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate
SMILESO=C(COP(=O)(Cc1ccccc1)Cc1ccccc1)Oc1ccccc1O
InChIInChI=1S/C22H21O5P/c23-20-13-7-8-14-21(20)27-22(24)15-26-28(25,16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,23H,15-17H2
InChIKeyIAJRUDYEEVONMJ-UHFFFAOYSA-N
XLogP4.99
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
[benzyl(methoxy)phosphoryl]methanol
CID 54224349
CID 173408230
CID 173408230
(E)-4-[2-(2-hydroxyphenoxy)-2-oxoethoxy]-3-methyl-4-oxobut-2-enoic acid
CID 141075910
2-(diphenylphosphorylmethoxy)phenol
CID 13354416
2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate
CID 139450592
(2-hydroxyphenyl) 4-chlorobutanoate
CID 69126445
[benzyl(phenoxy)phosphoryl]methylbenzene
CID 23079553
CID 131854846
CID 131854846
benzyl 2-dimethylphosphoryloxyacetate
CID 59427280
dibenzyl 2-[[benzyl(phenylmethoxy)phosphoryl]methyl]pentanedioate
CID 11050062

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate?
The IUPAC name of (2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate (CID 141214958) is (2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate.
What is the SMILES notation for (2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate?
The canonical SMILES for (2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate is O=C(COP(=O)(Cc1ccccc1)Cc1ccccc1)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate?
The InChIKey is IAJRUDYEEVONMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O5P/c23-20-13-7-8-14-21(20)27-22(24)15-26-28(25,16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,23H,15-17H2.
What are the key properties of (2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate?
(2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate has a molecular weight of 396.38 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 2-dibenzylphosphoryloxyacetate is sourced from PubChem (CID 141214958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).