bis(2-hydroxyethyl) benzene-1,4-dicarboxylate

C12H14O6 — CID 13739

IUPACbis(2-hydroxyethyl) benzene-1,4-dicarboxylate
SMILESO=C(OCCO)c1ccc(C(=O)OCCO)cc1
InChIInChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
InChIKeyQPKOBORKPHRBPS-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.02
Rot. Bonds6

About bis(2-hydroxyethyl) benzene-1,4-dicarboxylate

bis(2-hydroxyethyl) benzene-1,4-dicarboxylate (PubChem CID 13739) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is bis(2-hydroxyethyl) benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-hydroxyethyl) benzene-1,4-dicarboxylate
PubChem CID13739
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Namebis(2-hydroxyethyl) benzene-1,4-dicarboxylate
SMILESO=C(OCCO)c1ccc(C(=O)OCCO)cc1
InChIInChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
InChIKeyQPKOBORKPHRBPS-UHFFFAOYSA-N
XLogP-0.02
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl) benzene-1,4-dicarboxylate?
The IUPAC name of bis(2-hydroxyethyl) benzene-1,4-dicarboxylate (CID 13739) is bis(2-hydroxyethyl) benzene-1,4-dicarboxylate.
What is the SMILES notation for bis(2-hydroxyethyl) benzene-1,4-dicarboxylate?
The canonical SMILES for bis(2-hydroxyethyl) benzene-1,4-dicarboxylate is O=C(OCCO)c1ccc(C(=O)OCCO)cc1.
What is the InChIKey of bis(2-hydroxyethyl) benzene-1,4-dicarboxylate?
The InChIKey is QPKOBORKPHRBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2.
What are the key properties of bis(2-hydroxyethyl) benzene-1,4-dicarboxylate?
bis(2-hydroxyethyl) benzene-1,4-dicarboxylate has a molecular weight of 254.24 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl) benzene-1,4-dicarboxylate is sourced from PubChem (CID 13739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).