1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate

C14H14O6 — CID 57249723

IUPAC1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate
SMILESC=C(C)C(=O)OC(=O)c1ccccc1C(=O)OCCO
InChIInChI=1S/C14H14O6/c1-9(2)12(16)20-14(18)11-6-4-3-5-10(11)13(17)19-8-7-15/h3-6,15H,1,7-8H2,2H3
InChIKeyJXGAZZABHYCBQL-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.10
Rot. Bonds5

About 1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate

1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate (PubChem CID 57249723) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate
PubChem CID57249723
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate
SMILESC=C(C)C(=O)OC(=O)c1ccccc1C(=O)OCCO
InChIInChI=1S/C14H14O6/c1-9(2)12(16)20-14(18)11-6-4-3-5-10(11)13(17)19-8-7-15/h3-6,15H,1,7-8H2,2H3
InChIKeyJXGAZZABHYCBQL-UHFFFAOYSA-N
XLogP1.10
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 158691957
1-O-(2,4-dihydroxybutyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate
CID 174428946
1-O-(3-hydroxypropyl) 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] benzene-1,2-dicarboxylate
CID 151164300
1-O-(2-hydroxypentyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate
CID 87264086
2-(2-hydroxyethoxycarbonyl)benzoate
CID 7034609
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
2-O-(2-hydroxyethyl) 1-O-octyl benzene-1,2-dicarboxylate
CID 150225256
bis[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] benzene-1,2-dicarboxylate
CID 139753274
3-(2-methylprop-2-enoyloxy)propyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333815
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 158146899

Frequently Asked Questions

What is the IUPAC name of 1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate?
The IUPAC name of 1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate (CID 57249723) is 1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate?
The canonical SMILES for 1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate is C=C(C)C(=O)OC(=O)c1ccccc1C(=O)OCCO.
What is the InChIKey of 1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate?
The InChIKey is JXGAZZABHYCBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c1-9(2)12(16)20-14(18)11-6-4-3-5-10(11)13(17)19-8-7-15/h3-6,15H,1,7-8H2,2H3.
What are the key properties of 1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate?
1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate has a molecular weight of 278.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 57249723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).