4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid

C18H26O10 — CID 101322056

IUPAC4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(CCOCOCCO)cc1CCOCOCCO
InChIInChI=1S/C18H26O10/c19-3-7-27-11-25-5-1-13-9-14(2-6-26-12-28-8-4-20)16(18(23)24)10-15(13)17(21)22/h9-10,19-20H,1-8,11-12H2,(H,21,22)(H,23,24)
InChIKeyYYAZBFBSBOCAEI-UHFFFAOYSA-N
MW402.40 g/mol
LogP0.13
Rot. Bonds16

About 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid

4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid (PubChem CID 101322056) has the molecular formula C18H26O10 and a molecular weight of 402.40 g/mol. Its IUPAC name is 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid
PubChem CID101322056
Molecular FormulaC18H26O10
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(CCOCOCCO)cc1CCOCOCCO
InChIInChI=1S/C18H26O10/c19-3-7-27-11-25-5-1-13-9-14(2-6-26-12-28-8-4-20)16(18(23)24)10-15(13)17(21)22/h9-10,19-20H,1-8,11-12H2,(H,21,22)(H,23,24)
InChIKeyYYAZBFBSBOCAEI-UHFFFAOYSA-N
XLogP0.13
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic 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

4,6-bis(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 139624390
2,5-bis(2-hydroxyethyl)terephthalic acid
CID 175518382
2,4-bis[3-(2-hydroxyethoxymethoxy)propyl]benzene-1,3-dicarboxylic acid
CID 101322125
4,5-bis(2-hydroxyethoxymethoxymethoxymethoxymethyl)benzene-1,3-dicarboxylic acid
CID 101322207
2-hydroxybenzoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 70560732
2,5-bis[2-(3-hydroxypropoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid
CID 101322138
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590
2-[[2-(2-hydroxyethoxy)ethylamino]methyl]benzoic acid
CID 17156841
2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 174967065
2-[1,1-dihydroxy-2-(2-hydroxyethoxy)ethoxy]carbonylbenzoic acid
CID 87217155
2-(2-hydroxyethylperoxycarbonyl)benzoic acid
CID 19384830

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid (CID 101322056) is 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c(CCOCOCCO)cc1CCOCOCCO.
What is the InChIKey of 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid?
The InChIKey is YYAZBFBSBOCAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O10/c19-3-7-27-11-25-5-1-13-9-14(2-6-26-12-28-8-4-20)16(18(23)24)10-15(13)17(21)22/h9-10,19-20H,1-8,11-12H2,(H,21,22)(H,23,24).
What are the key properties of 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid?
4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid has a molecular weight of 402.40 g/mol, XLogP of 0.13, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[2-(2-hydroxyethoxymethoxy)ethyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 101322056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).