(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate

C23H14O6 — CID 5072272

IUPAC(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C23H14O6/c1-2-21(25)27-14-8-10-18-20(12-14)28-19-11-13(24)7-9-17(19)23(18)16-6-4-3-5-15(16)22(26)29-23/h2-12,24H,1H2
InChIKeyVYLDMXSRCVCHNE-UHFFFAOYSA-N
MW386.36 g/mol
LogP4.05
Rot. Bonds2

About (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate

(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate (PubChem CID 5072272) has the molecular formula C23H14O6 and a molecular weight of 386.36 g/mol. Its IUPAC name is (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate.

Molecular Properties

Compound Name(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate
PubChem CID5072272
Molecular FormulaC23H14O6
Molecular Weight386.36 g/mol
Exact Mass386.08
IUPAC Name(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C23H14O6/c1-2-21(25)27-14-8-10-18-20(12-14)28-19-11-13(24)7-9-17(19)23(18)16-6-4-3-5-15(16)22(26)29-23/h2-12,24H,1H2
InChIKeyVYLDMXSRCVCHNE-UHFFFAOYSA-N
XLogP4.05
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate?
The IUPAC name of (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate (CID 5072272) is (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate.
What is the SMILES notation for (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate?
The canonical SMILES for (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate is C=CC(=O)Oc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21.
What is the InChIKey of (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate?
The InChIKey is VYLDMXSRCVCHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O6/c1-2-21(25)27-14-8-10-18-20(12-14)28-19-11-13(24)7-9-17(19)23(18)16-6-4-3-5-15(16)22(26)29-23/h2-12,24H,1H2.
What are the key properties of (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate?
(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate has a molecular weight of 386.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) prop-2-enoate is sourced from PubChem (CID 5072272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).