5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione

C30H27NO5 — CID 10227720

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione
SMILESO=C1c2ccc(OCCN3CCCCC3)cc2C(=O)C12C(c1ccc(O)cc1)=Cc1cc(O)ccc12
InChIInChI=1S/C30H27NO5/c32-21-6-4-19(5-7-21)27-17-20-16-22(33)8-11-26(20)30(27)28(34)24-10-9-23(18-25(24)29(30)35)36-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15H2
InChIKeyHSKXJPNHMGUVPL-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.83
Rot. Bonds5

About 5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione

5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione (PubChem CID 10227720) has the molecular formula C30H27NO5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione
PubChem CID10227720
Molecular FormulaC30H27NO5
Molecular Weight481.55 g/mol
Exact Mass481.19
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione
SMILESO=C1c2ccc(OCCN3CCCCC3)cc2C(=O)C12C(c1ccc(O)cc1)=Cc1cc(O)ccc12
InChIInChI=1S/C30H27NO5/c32-21-6-4-19(5-7-21)27-17-20-16-22(33)8-11-26(20)30(27)28(34)24-10-9-23(18-25(24)29(30)35)36-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15H2
InChIKeyHSKXJPNHMGUVPL-UHFFFAOYSA-N
XLogP4.83
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione (CID 10227720) is 5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione is O=C1c2ccc(OCCN3CCCCC3)cc2C(=O)C12C(c1ccc(O)cc1)=Cc1cc(O)ccc12.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione?
The InChIKey is HSKXJPNHMGUVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO5/c32-21-6-4-19(5-7-21)27-17-20-16-22(33)8-11-26(20)30(27)28(34)24-10-9-23(18-25(24)29(30)35)36-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15H2.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione?
5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione has a molecular weight of 481.55 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-5'-(2-piperidin-1-ylethoxy)-1,2'-spirobi[indene]-1',3'-dione is sourced from PubChem (CID 10227720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).