2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol

C20H20O10 — CID 174967065

IUPAC2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol
SMILESO=C(O)c1ccc(C(=O)OC(=O)c2ccccc2C(=O)O)cc1.OCCOCCO
InChIInChI=1S/C16H10O7.C4H10O3/c17-13(18)9-5-7-10(8-6-9)15(21)23-16(22)12-4-2-1-3-11(12)14(19)20;5-1-3-7-4-2-6/h1-8H,(H,17,18)(H,19,20);5-6H,1-4H2
InChIKeyJNWAGSNYRWLPIU-UHFFFAOYSA-N
MW420.37 g/mol
LogP1.07
Rot. Bonds8

About 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol

2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol (PubChem CID 174967065) has the molecular formula C20H20O10 and a molecular weight of 420.37 g/mol. Its IUPAC name is 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol
PubChem CID174967065
Molecular FormulaC20H20O10
Molecular Weight420.37 g/mol
Exact Mass420.11
IUPAC Name2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol
SMILESO=C(O)c1ccc(C(=O)OC(=O)c2ccccc2C(=O)O)cc1.OCCOCCO
InChIInChI=1S/C16H10O7.C4H10O3/c17-13(18)9-5-7-10(8-6-9)15(21)23-16(22)12-4-2-1-3-11(12)14(19)20;5-1-3-7-4-2-6/h1-8H,(H,17,18)(H,19,20);5-6H,1-4H2
InChIKeyJNWAGSNYRWLPIU-UHFFFAOYSA-N
XLogP1.07
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol 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-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid
CID 57485280
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
2-[1,1-dihydroxy-2-(2-hydroxyethoxy)ethoxy]carbonylbenzoic acid
CID 87217155
2-hydroxybenzoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 70560732
2-(2-hydroxyethylperoxycarbonyl)benzoic acid
CID 19384830
2-(2-hydroxyethoxy)ethoxycarbonyl benzoate
CID 174850057
5-benzoyloxycarbonylbenzene-1,2,4-tricarboxylic acid
CID 141440230
2-acetyl-3-oxobutanoic acid;2-(2-hydroxyethoxy)ethanol;phthalic acid
CID 174610219
2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid
CID 175831350
4-formylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 175368400
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol (CID 174967065) is 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol is O=C(O)c1ccc(C(=O)OC(=O)c2ccccc2C(=O)O)cc1.OCCOCCO.
What is the InChIKey of 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol?
The InChIKey is JNWAGSNYRWLPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O7.C4H10O3/c17-13(18)9-5-7-10(8-6-9)15(21)23-16(22)12-4-2-1-3-11(12)14(19)20;5-1-3-7-4-2-6/h1-8H,(H,17,18)(H,19,20);5-6H,1-4H2.
What are the key properties of 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol?
2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol has a molecular weight of 420.37 g/mol, XLogP of 1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 174967065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).