(5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one

C20H18O3 — CID 11120333

IUPAC(5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one
SMILESO=C1C(O)=C(c2ccccc2)C(c2ccccc2)/C1=C\CCO
InChIInChI=1S/C20H18O3/c21-13-7-12-16-17(14-8-3-1-4-9-14)18(20(23)19(16)22)15-10-5-2-6-11-15/h1-6,8-12,17,21,23H,7,13H2/b16-12+
InChIKeyKUURLBMVVZKHSX-FOWTUZBSSA-N
MW306.36 g/mol
LogP3.63
Rot. Bonds4

About (5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one

(5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one (PubChem CID 11120333) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one
PubChem CID11120333
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one
SMILESO=C1C(O)=C(c2ccccc2)C(c2ccccc2)/C1=C\CCO
InChIInChI=1S/C20H18O3/c21-13-7-12-16-17(14-8-3-1-4-9-14)18(20(23)19(16)22)15-10-5-2-6-11-15/h1-6,8-12,17,21,23H,7,13H2/b16-12+
InChIKeyKUURLBMVVZKHSX-FOWTUZBSSA-N
XLogP3.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one?
The IUPAC name of (5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one (CID 11120333) is (5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for (5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one?
The canonical SMILES for (5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one is O=C1C(O)=C(c2ccccc2)C(c2ccccc2)/C1=C\CCO.
What is the InChIKey of (5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one?
The InChIKey is KUURLBMVVZKHSX-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H18O3/c21-13-7-12-16-17(14-8-3-1-4-9-14)18(20(23)19(16)22)15-10-5-2-6-11-15/h1-6,8-12,17,21,23H,7,13H2/b16-12+.
What are the key properties of (5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one?
(5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one has a molecular weight of 306.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-hydroxy-5-(3-hydroxypropylidene)-3,4-diphenylcyclopent-2-en-1-one is sourced from PubChem (CID 11120333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).