7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid

C18H14O7 — CID 23347467

IUPAC7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid
SMILESCC(=O)c1cc(OCCO)c2oc3ccc(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C18H14O7/c1-9(20)11-7-13-16(21)12-6-10(18(22)23)2-3-14(12)25-17(13)15(8-11)24-5-4-19/h2-3,6-8,19H,4-5H2,1H3,(H,22,23)
InChIKeyMUQGWKLYLPPUEG-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.22
Rot. Bonds5

About 7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid

7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid (PubChem CID 23347467) has the molecular formula C18H14O7 and a molecular weight of 342.30 g/mol. Its IUPAC name is 7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid.

Molecular Properties

Compound Name7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid
PubChem CID23347467
Molecular FormulaC18H14O7
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid
SMILESCC(=O)c1cc(OCCO)c2oc3ccc(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C18H14O7/c1-9(20)11-7-13-16(21)12-6-10(18(22)23)2-3-14(12)25-17(13)15(8-11)24-5-4-19/h2-3,6-8,19H,4-5H2,1H3,(H,22,23)
InChIKeyMUQGWKLYLPPUEG-UHFFFAOYSA-N
XLogP2.22
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5,7-ditert-butyl-9-oxoxanthene-2-carboxylic acid
CID 12825848
9-oxo-5,7-di(propan-2-yl)xanthene-2-carboxylic acid
CID 12825847
7-[(S)-methylsulfinyl]-9-oxoxanthene-2-carboxylic acid
CID 76956149
4-amino-3-(2-hydroxyethoxy)benzoic acid
CID 43379927
6-acetyl-3-ethyl-2-phenylchromen-4-one
CID 13308875
7-formyloxy-9-oxoxanthene-2-carboxylic acid
CID 58099905
4-oxo-2-(2-phenylethenyl)-3-propoxychromene-6-carboxylic acid
CID 54367638
5-(2-carboxyethyl)-6-[6-(4-methoxyphenyl)hex-5-enoxy]-9-oxoxanthene-2-carboxylic acid
CID 3083433
7-acetyl-2-methylchromeno[2,3-b]pyridin-5-one
CID 12898481
3-ethoxy-4-oxo-2-(2-phenylethenyl)chromene-6-carboxylic acid
CID 54021243
5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylic acid
CID 76966952
5-oxochromeno[2,3-c]pyridine-7-carboxylic acid
CID 121468128

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid?
The IUPAC name of 7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid (CID 23347467) is 7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid.
What is the SMILES notation for 7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid?
The canonical SMILES for 7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid is CC(=O)c1cc(OCCO)c2oc3ccc(C(=O)O)cc3c(=O)c2c1.
What is the InChIKey of 7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid?
The InChIKey is MUQGWKLYLPPUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7/c1-9(20)11-7-13-16(21)12-6-10(18(22)23)2-3-14(12)25-17(13)15(8-11)24-5-4-19/h2-3,6-8,19H,4-5H2,1H3,(H,22,23).
What are the key properties of 7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid?
7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid has a molecular weight of 342.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-5-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid is sourced from PubChem (CID 23347467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).