2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid

C18H24O11 — CID 175831350

IUPAC2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid
SMILESC=CC(=O)O.C=CC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.OCCOCCO
InChIInChI=1S/C8H6O4.C4H10O3.2C3H4O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;5-1-3-7-4-2-6;2*1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);5-6H,1-4H2;2*2H,1H2,(H,4,5)
InChIKeyQURDINCXSYTJSA-UHFFFAOYSA-N
MW416.38 g/mol
LogP0.58
Rot. Bonds8

About 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid

2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid (PubChem CID 175831350) has the molecular formula C18H24O11 and a molecular weight of 416.38 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid
PubChem CID175831350
Molecular FormulaC18H24O11
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC Name2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid
SMILESC=CC(=O)O.C=CC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.OCCOCCO
InChIInChI=1S/C8H6O4.C4H10O3.2C3H4O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;5-1-3-7-4-2-6;2*1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);5-6H,1-4H2;2*2H,1H2,(H,4,5)
InChIKeyQURDINCXSYTJSA-UHFFFAOYSA-N
XLogP0.58
TPSA198.89 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.38
LogP ≤ 50.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88626214
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
4-formylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 175368400
2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 162233537
propane-1,2-diol;prop-2-enoic acid;terephthalic acid
CID 157389848
benzoic acid;3-hydroxypropyl prop-2-enoate
CID 161094010
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol;prop-2-enoic acid
CID 67882500
2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid
CID 70580984
2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919
bis(4-(2-prop-2-enoyloxyethoxycarbonyl)benzoic acid);zinc
CID 59502826

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid (CID 175831350) is 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid is C=CC(=O)O.C=CC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid?
The InChIKey is QURDINCXSYTJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C4H10O3.2C3H4O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;5-1-3-7-4-2-6;2*1-2-3(4)5/h1-4H,(H,9,10)(H,11,12);5-6H,1-4H2;2*2H,1H2,(H,4,5).
What are the key properties of 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid?
2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid has a molecular weight of 416.38 g/mol, XLogP of 0.58, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid is sourced from PubChem (CID 175831350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).