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

C26H26O7 — CID 52941878

IUPAC3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=Cc2ccc(OC)c(O)c2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C26H26O7/c1-29-19-9-7-17(8-10-19)20(12-16-6-11-22(30-2)21(27)13-16)25(28)18-14-23(31-3)26(33-5)24(15-18)32-4/h6-15,27H,1-5H3
InChIKeyKIQARMBVJPXXBW-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.86
Rot. Bonds9

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

3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 52941878) has the molecular formula C26H26O7 and a molecular weight of 450.49 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID52941878
Molecular FormulaC26H26O7
Molecular Weight450.49 g/mol
Exact Mass450.17
IUPAC Name3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=Cc2ccc(OC)c(O)c2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C26H26O7/c1-29-19-9-7-17(8-10-19)20(12-16-6-11-22(30-2)21(27)13-16)25(28)18-14-23(31-3)26(33-5)24(15-18)32-4/h6-15,27H,1-5H3
InChIKeyKIQARMBVJPXXBW-UHFFFAOYSA-N
XLogP4.86
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 52941878) is 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is COc1ccc(C(=Cc2ccc(OC)c(O)c2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is KIQARMBVJPXXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O7/c1-29-19-9-7-17(8-10-19)20(12-16-6-11-22(30-2)21(27)13-16)25(28)18-14-23(31-3)26(33-5)24(15-18)32-4/h6-15,27H,1-5H3.
What are the key properties of 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 450.49 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 52941878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).