2,3-bis(2-hydroxyethoxy)terephthalic acid

C12H14O8 — CID 18003835

IUPAC2,3-bis(2-hydroxyethoxy)terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(OCCO)c1OCCO
InChIInChI=1S/C12H14O8/c13-3-5-19-9-7(11(15)16)1-2-8(12(17)18)10(9)20-6-4-14/h1-2,13-14H,3-6H2,(H,15,16)(H,17,18)
InChIKeyDCBHEUHFBOSTDA-UHFFFAOYSA-N
MW286.24 g/mol
LogP-0.17
Rot. Bonds8

About 2,3-bis(2-hydroxyethoxy)terephthalic acid

2,3-bis(2-hydroxyethoxy)terephthalic acid (PubChem CID 18003835) has the molecular formula C12H14O8 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2,3-bis(2-hydroxyethoxy)terephthalic acid.

Molecular Properties

Compound Name2,3-bis(2-hydroxyethoxy)terephthalic acid
PubChem CID18003835
Molecular FormulaC12H14O8
Molecular Weight286.24 g/mol
Exact Mass286.07
IUPAC Name2,3-bis(2-hydroxyethoxy)terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(OCCO)c1OCCO
InChIInChI=1S/C12H14O8/c13-3-5-19-9-7(11(15)16)1-2-8(12(17)18)10(9)20-6-4-14/h1-2,13-14H,3-6H2,(H,15,16)(H,17,18)
InChIKeyDCBHEUHFBOSTDA-UHFFFAOYSA-N
XLogP-0.17
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-2-(2-hydroxyethoxy)benzoic acid
CID 61391225
1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702048
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
5-(2-hydroxyethoxy)furan-2-carboxylic acid
CID 62206874
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carboxylic acid
CID 107063382
3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid
CID 68930611
2,6-bis(2-hydroxyethoxy)benzoic acid
CID 54256937
4-bromo-2-butoxy-3-fluorobenzoic acid
CID 177115483
1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid
CID 62034235
1-(3,3-dimethylbutoxy)naphthalene-2-carboxylic acid
CID 63464162
3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 22687712
2-hydroxybenzoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 70560732

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-hydroxyethoxy)terephthalic acid?
The IUPAC name of 2,3-bis(2-hydroxyethoxy)terephthalic acid (CID 18003835) is 2,3-bis(2-hydroxyethoxy)terephthalic acid.
What is the SMILES notation for 2,3-bis(2-hydroxyethoxy)terephthalic acid?
The canonical SMILES for 2,3-bis(2-hydroxyethoxy)terephthalic acid is O=C(O)c1ccc(C(=O)O)c(OCCO)c1OCCO.
What is the InChIKey of 2,3-bis(2-hydroxyethoxy)terephthalic acid?
The InChIKey is DCBHEUHFBOSTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O8/c13-3-5-19-9-7(11(15)16)1-2-8(12(17)18)10(9)20-6-4-14/h1-2,13-14H,3-6H2,(H,15,16)(H,17,18).
What are the key properties of 2,3-bis(2-hydroxyethoxy)terephthalic acid?
2,3-bis(2-hydroxyethoxy)terephthalic acid has a molecular weight of 286.24 g/mol, XLogP of -0.17, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-hydroxyethoxy)terephthalic acid is sourced from PubChem (CID 18003835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).