ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate

C18H14O6 — CID 10087734

IUPACethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate
SMILESCCOC(=O)C1COc2ccc3c(=O)c4ccccc4oc3c2O1
InChIInChI=1S/C18H14O6/c1-2-21-18(20)14-9-22-13-8-7-11-15(19)10-5-3-4-6-12(10)23-16(11)17(13)24-14/h3-8,14H,2,9H2,1H3
InChIKeyAGPRXMJXTNUQCO-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.65
Rot. Bonds2

About ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate

ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate (PubChem CID 10087734) has the molecular formula C18H14O6 and a molecular weight of 326.30 g/mol. Its IUPAC name is ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate
PubChem CID10087734
Molecular FormulaC18H14O6
Molecular Weight326.30 g/mol
Exact Mass326.08
IUPAC Nameethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate
SMILESCCOC(=O)C1COc2ccc3c(=O)c4ccccc4oc3c2O1
InChIInChI=1S/C18H14O6/c1-2-21-18(20)14-9-22-13-8-7-11-15(19)10-5-3-4-6-12(10)23-16(11)17(13)24-14/h3-8,14H,2,9H2,1H3
InChIKeyAGPRXMJXTNUQCO-UHFFFAOYSA-N
XLogP2.65
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethylxanthen-9-one
CID 15075530
ethyl (3S)-6,7-dimethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 125479982
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
ethyl (3S,4R)-5-oxo-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromene-3-carboxylate
CID 45257855
ethyl 6-acetyloxy-2,3-dihydro-1,4-benzodioxine-2-carboxylate
CID 11010912
[2-(ethoxycarbonylamino)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861691
2-(9-oxoxanthen-4-yl)acetic acid;propane
CID 91358687
ethyl propanoate;3-hydroxyxanthen-9-one
CID 174285230
ethyl 4-(dimethylamino)benzoate;xanthen-9-one
CID 67481902
propane;xanthen-9-one
CID 90876458
[6-(3-methyl-4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
CID 10349999
ethyl 2-(2-hydroxyethyl)-9-oxochromeno[2,3-c]pyrrole-3-carboxylate
CID 162414351

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate?
The IUPAC name of ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate (CID 10087734) is ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate.
What is the SMILES notation for ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate?
The canonical SMILES for ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate is CCOC(=O)C1COc2ccc3c(=O)c4ccccc4oc3c2O1.
What is the InChIKey of ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate?
The InChIKey is AGPRXMJXTNUQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O6/c1-2-21-18(20)14-9-22-13-8-7-11-15(19)10-5-3-4-6-12(10)23-16(11)17(13)24-14/h3-8,14H,2,9H2,1H3.
What are the key properties of ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate?
ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate has a molecular weight of 326.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-2,3-dihydro-[1,4]dioxino[2,3-c]xanthene-2-carboxylate is sourced from PubChem (CID 10087734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).