methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate

C23H17NO6 — CID 10982310

IUPACmethyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate
SMILESCOC(=O)CN1C(=O)c2ccccc2C12c1ccc(O)cc1Oc1cc(O)ccc12
InChIInChI=1S/C23H17NO6/c1-29-21(27)12-24-22(28)15-4-2-3-5-16(15)23(24)17-8-6-13(25)10-19(17)30-20-11-14(26)7-9-18(20)23/h2-11,25-26H,12H2,1H3
InChIKeySFKWAQHKNORKLK-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.12
Rot. Bonds2

About methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate

methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate (PubChem CID 10982310) has the molecular formula C23H17NO6 and a molecular weight of 403.39 g/mol. Its IUPAC name is methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate
PubChem CID10982310
Molecular FormulaC23H17NO6
Molecular Weight403.39 g/mol
Exact Mass403.11
IUPAC Namemethyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate
SMILESCOC(=O)CN1C(=O)c2ccccc2C12c1ccc(O)cc1Oc1cc(O)ccc12
InChIInChI=1S/C23H17NO6/c1-29-21(27)12-24-22(28)15-4-2-3-5-16(15)23(24)17-8-6-13(25)10-19(17)30-20-11-14(26)7-9-18(20)23/h2-11,25-26H,12H2,1H3
InChIKeySFKWAQHKNORKLK-UHFFFAOYSA-N
XLogP3.12
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate?
The IUPAC name of methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate (CID 10982310) is methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate.
What is the SMILES notation for methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate?
The canonical SMILES for methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate is COC(=O)CN1C(=O)c2ccccc2C12c1ccc(O)cc1Oc1cc(O)ccc12.
What is the InChIKey of methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate?
The InChIKey is SFKWAQHKNORKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO6/c1-29-21(27)12-24-22(28)15-4-2-3-5-16(15)23(24)17-8-6-13(25)10-19(17)30-20-11-14(26)7-9-18(20)23/h2-11,25-26H,12H2,1H3.
What are the key properties of methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate?
methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate has a molecular weight of 403.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3',6'-dihydroxy-3-oxospiro[isoindole-1,9'-xanthene]-2-yl)acetate is sourced from PubChem (CID 10982310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).