(6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione

C26H30O4 — CID 5324259

IUPAC(6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
SMILESCOC1=CC(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)/C1=C(O)/C=C/c1ccccc1
InChIInChI=1S/C26H30O4/c1-18(2)13-15-26(16-14-19(3)4)23(28)17-22(30-5)24(25(26)29)21(27)12-11-20-9-7-6-8-10-20/h6-14,17,27H,15-16H2,1-5H3/b12-11+,24-21-
InChIKeyFHECBCWIVGBBEG-OKCWMKPZSA-N
MW406.52 g/mol
LogP5.89
Rot. Bonds7

About (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione

(6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione (PubChem CID 5324259) has the molecular formula C26H30O4 and a molecular weight of 406.52 g/mol. Its IUPAC name is (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name(6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
PubChem CID5324259
Molecular FormulaC26H30O4
Molecular Weight406.52 g/mol
Exact Mass406.21
IUPAC Name(6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
SMILESCOC1=CC(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)/C1=C(O)/C=C/c1ccccc1
InChIInChI=1S/C26H30O4/c1-18(2)13-15-26(16-14-19(3)4)23(28)17-22(30-5)24(25(26)29)21(27)12-11-20-9-7-6-8-10-20/h6-14,17,27H,15-16H2,1-5H3/b12-11+,24-21-
InChIKeyFHECBCWIVGBBEG-OKCWMKPZSA-N
XLogP5.89
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione 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 (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione?
The IUPAC name of (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione (CID 5324259) is (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione.
What is the SMILES notation for (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione?
The canonical SMILES for (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione is COC1=CC(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)/C1=C(O)/C=C/c1ccccc1.
What is the InChIKey of (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione?
The InChIKey is FHECBCWIVGBBEG-OKCWMKPZSA-N. The full InChI is InChI=1S/C26H30O4/c1-18(2)13-15-26(16-14-19(3)4)23(28)17-22(30-5)24(25(26)29)21(27)12-11-20-9-7-6-8-10-20/h6-14,17,27H,15-16H2,1-5H3/b12-11+,24-21-.
What are the key properties of (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione?
(6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione has a molecular weight of 406.52 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-methoxy-2,2-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione is sourced from PubChem (CID 5324259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).