(4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one

C22H28O6 — CID 163062195

IUPAC(4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCc1cc(OC)c(OC)cc1O[C@]1(OC)C[C@H](CC=C)C(=O)C=C1OC
InChIInChI=1S/C22H28O6/c1-7-9-15-11-19(24-3)20(25-4)13-18(15)28-22(27-6)14-16(10-8-2)17(23)12-21(22)26-5/h7-8,11-13,16H,1-2,9-10,14H2,3-6H3/t16-,22+/m0/s1
InChIKeyJYXLTLQGCJMUEX-KSFYIVLOSA-N
MW388.46 g/mol
LogP3.85
Rot. Bonds10

About (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one

(4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one (PubChem CID 163062195) has the molecular formula C22H28O6 and a molecular weight of 388.46 g/mol. Its IUPAC name is (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one
PubChem CID163062195
Molecular FormulaC22H28O6
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Name(4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one
SMILESC=CCc1cc(OC)c(OC)cc1O[C@]1(OC)C[C@H](CC=C)C(=O)C=C1OC
InChIInChI=1S/C22H28O6/c1-7-9-15-11-19(24-3)20(25-4)13-18(15)28-22(27-6)14-16(10-8-2)17(23)12-21(22)26-5/h7-8,11-13,16H,1-2,9-10,14H2,3-6H3/t16-,22+/m0/s1
InChIKeyJYXLTLQGCJMUEX-KSFYIVLOSA-N
XLogP3.85
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-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 (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one (CID 163062195) is (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one is C=CCc1cc(OC)c(OC)cc1O[C@]1(OC)C[C@H](CC=C)C(=O)C=C1OC.
What is the InChIKey of (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is JYXLTLQGCJMUEX-KSFYIVLOSA-N. The full InChI is InChI=1S/C22H28O6/c1-7-9-15-11-19(24-3)20(25-4)13-18(15)28-22(27-6)14-16(10-8-2)17(23)12-21(22)26-5/h7-8,11-13,16H,1-2,9-10,14H2,3-6H3/t16-,22+/m0/s1.
What are the key properties of (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one?
(4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 388.46 g/mol, XLogP of 3.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-(4,5-dimethoxy-2-prop-2-enylphenoxy)-3,4-dimethoxy-6-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 163062195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).