5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one

C21H22O6 — CID 10451790

IUPAC5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C(O)C2)cc1
InChIInChI=1S/C21H22O6/c1-24-14-7-5-12(6-8-14)15-11-16(22)20(23)19(15)13-9-17(25-2)21(27-4)18(10-13)26-3/h5-10,16,22H,11H2,1-4H3
InChIKeyRVQBLJQSHBNHJU-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.97
Rot. Bonds6

About 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one

5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one (PubChem CID 10451790) has the molecular formula C21H22O6 and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one
PubChem CID10451790
Molecular FormulaC21H22O6
Molecular Weight370.40 g/mol
Exact Mass370.14
IUPAC Name5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C(O)C2)cc1
InChIInChI=1S/C21H22O6/c1-24-14-7-5-12(6-8-14)15-11-16(22)20(23)19(15)13-9-17(25-2)21(27-4)18(10-13)26-3/h5-10,16,22H,11H2,1-4H3
InChIKeyRVQBLJQSHBNHJU-UHFFFAOYSA-N
XLogP2.97
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one?
The IUPAC name of 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one (CID 10451790) is 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one is COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C(O)C2)cc1.
What is the InChIKey of 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one?
The InChIKey is RVQBLJQSHBNHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O6/c1-24-14-7-5-12(6-8-14)15-11-16(22)20(23)19(15)13-9-17(25-2)21(27-4)18(10-13)26-3/h5-10,16,22H,11H2,1-4H3.
What are the key properties of 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one?
5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one has a molecular weight of 370.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 10451790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).