2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate

C13H17O6P — CID 22708503

IUPAC2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(C)ccc1OP(=O)(O)O
InChIInChI=1S/C13H17O6P/c1-9(2)13(14)18-7-6-11-8-10(3)4-5-12(11)19-20(15,16)17/h4-5,8H,1,6-7H2,2-3H3,(H2,15,16,17)
InChIKeyIEKAHDJEBYWOJS-UHFFFAOYSA-N
MW300.25 g/mol
LogP2.13
Rot. Bonds6

About 2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate

2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate (PubChem CID 22708503) has the molecular formula C13H17O6P and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate
PubChem CID22708503
Molecular FormulaC13H17O6P
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(C)ccc1OP(=O)(O)O
InChIInChI=1S/C13H17O6P/c1-9(2)13(14)18-7-6-11-8-10(3)4-5-12(11)19-20(15,16)17/h4-5,8H,1,6-7H2,2-3H3,(H2,15,16,17)
InChIKeyIEKAHDJEBYWOJS-UHFFFAOYSA-N
XLogP2.13
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylprop-2-enoyloxy)ethyl]benzoic acid;phosphoric acid
CID 118541677
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-[4-[2-(4-phosphonooxyphenyl)propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
CID 54281039
2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 20723903
hydroxy-[4-methoxy-2-[2-(2-methylprop-2-enoyloxy)ethyl]phenoxy]-oxophosphanium
CID 174909275
2-[2-(2-hydroxyethoxy)-5-(4-methylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134200412
2-O-[2-(2,5-dimethylphenyl)ethyl] 1-O-ethyl oxalate
CID 91658040
2-[2-(2-fluoro-4-methylphenyl)-5-(2-hydroxyethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134200385
2-[5-(2-fluoro-4-methylphenyl)-2-(2-hydroxyethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134200354
2-[2-(2-hydroxyethoxy)-5-naphthalen-2-ylphenyl]ethyl 2-methylprop-2-enoate
CID 134201092
2-[2-[4-(hydroxymethyl)phenyl]-5-methylphenoxy]ethyl 2-methylprop-2-enoate
CID 134200446
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate (CID 22708503) is 2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1cc(C)ccc1OP(=O)(O)O.
What is the InChIKey of 2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate?
The InChIKey is IEKAHDJEBYWOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O6P/c1-9(2)13(14)18-7-6-11-8-10(3)4-5-12(11)19-20(15,16)17/h4-5,8H,1,6-7H2,2-3H3,(H2,15,16,17).
What are the key properties of 2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate?
2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate has a molecular weight of 300.25 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phosphonooxyphenyl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22708503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).