2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid

C12H18O10P2 — CID 121347937

IUPAC2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid
SMILESC=C(C)C(=O)OCCOP(=O)(O)Oc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C12H15O6P.H3O4P/c1-10(2)12(13)16-8-9-17-19(14,15)18-11-6-4-3-5-7-11;1-5(2,3)4/h3-7H,1,8-9H2,2H3,(H,14,15);(H3,1,2,3,4)
InChIKeyZYGDQQXSSGEDCK-UHFFFAOYSA-N
MW384.21 g/mol
LogP1.37
Rot. Bonds7

About 2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid

2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid (PubChem CID 121347937) has the molecular formula C12H18O10P2 and a molecular weight of 384.21 g/mol. Its IUPAC name is 2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid.

Molecular Properties

Compound Name2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid
PubChem CID121347937
Molecular FormulaC12H18O10P2
Molecular Weight384.21 g/mol
Exact Mass384.04
IUPAC Name2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid
SMILESC=C(C)C(=O)OCCOP(=O)(O)Oc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C12H15O6P.H3O4P/c1-10(2)12(13)16-8-9-17-19(14,15)18-11-6-4-3-5-7-11;1-5(2,3)4/h3-7H,1,8-9H2,2H3,(H,14,15);(H3,1,2,3,4)
InChIKeyZYGDQQXSSGEDCK-UHFFFAOYSA-N
XLogP1.37
TPSA159.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-methylprop-2-enoyloxy)propoxy-phenoxyphosphoryl]oxypropyl 2-methylprop-2-enoate
CID 161139051
8-[8-(2-methylprop-2-enoyloxy)octoxy-phenoxyphosphoryl]oxyoctyl 2-methylprop-2-enoate
CID 158144102
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
4-[hydroxy(phenoxy)phosphoryl]oxybutyl phenyl hydrogen phosphate
CID 101208823
2-[2-(2-methylprop-2-enoyloxy)ethyl]benzoic acid;phosphoric acid
CID 118541677
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
CID 87608005
2-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 88502358
2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate
CID 170686959
2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
hexyl phenyl hydrogen phosphate
CID 66863526
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium
CID 143475819

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid?
The IUPAC name of 2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid (CID 121347937) is 2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid.
What is the SMILES notation for 2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid?
The canonical SMILES for 2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid is C=C(C)C(=O)OCCOP(=O)(O)Oc1ccccc1.O=P(O)(O)O.
What is the InChIKey of 2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid?
The InChIKey is ZYGDQQXSSGEDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O6P.H3O4P/c1-10(2)12(13)16-8-9-17-19(14,15)18-11-6-4-3-5-7-11;1-5(2,3)4/h3-7H,1,8-9H2,2H3,(H,14,15);(H3,1,2,3,4).
What are the key properties of 2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid?
2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid has a molecular weight of 384.21 g/mol, XLogP of 1.37, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid is sourced from PubChem (CID 121347937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).