4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione

C17H12O5 — CID 71438153

IUPAC4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione
SMILESO=C1C(O)=C(c2ccc(O)cc2)C(=O)C1c1ccc(O)cc1
InChIInChI=1S/C17H12O5/c18-11-5-1-9(2-6-11)13-15(20)14(17(22)16(13)21)10-3-7-12(19)8-4-10/h1-8,13,18-19,22H
InChIKeyDIFAFZFNMSLGGN-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.30
Rot. Bonds2

About 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione

4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione (PubChem CID 71438153) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione
PubChem CID71438153
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione
SMILESO=C1C(O)=C(c2ccc(O)cc2)C(=O)C1c1ccc(O)cc1
InChIInChI=1S/C17H12O5/c18-11-5-1-9(2-6-11)13-15(20)14(17(22)16(13)21)10-3-7-12(19)8-4-10/h1-8,13,18-19,22H
InChIKeyDIFAFZFNMSLGGN-UHFFFAOYSA-N
XLogP2.30
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione?
The IUPAC name of 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione (CID 71438153) is 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione?
The canonical SMILES for 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione is O=C1C(O)=C(c2ccc(O)cc2)C(=O)C1c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione?
The InChIKey is DIFAFZFNMSLGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c18-11-5-1-9(2-6-11)13-15(20)14(17(22)16(13)21)10-3-7-12(19)8-4-10/h1-8,13,18-19,22H.
What are the key properties of 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione?
4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione has a molecular weight of 296.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-bis(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 71438153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).