4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one

C24H36O4 — CID 123261910

IUPAC4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one
SMILESCOC1=C(OC)C(O)C(CC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O
InChIInChI=1S/C24H36O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14,22,26H,8-9,11,13,15H2,1-7H3
InChIKeyVUROXRPQFBGHBN-UHFFFAOYSA-N
MW388.55 g/mol
LogP5.56
Rot. Bonds10

About 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one

4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one (PubChem CID 123261910) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one
PubChem CID123261910
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one
SMILESCOC1=C(OC)C(O)C(CC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O
InChIInChI=1S/C24H36O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14,22,26H,8-9,11,13,15H2,1-7H3
InChIKeyVUROXRPQFBGHBN-UHFFFAOYSA-N
XLogP5.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-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

Related Compounds

Antroquinonol N
CID 139589775
3-Hydroxy-2-(1-hydroxybutyl)-6-methylpyran-4-one
CID 10584101
3-Hydroxy-2-(1-hydroxypentyl)-6-methylpyran-4-one
CID 145981456
9-Hydroxygeranylgeraniol
CID 129834634
2-[(2E,6E)-11,11-difluoro-3,7-dimethylundeca-2,6,10-trienyl]-4-hydroxy-5,6-dimethoxy-3-methylcyclohexa-2,5-dien-1-one
CID 166782137
5-(2-Ethylidenehex-5-enoxy)-2-(hydroxymethyl)pyran-4-one
CID 85389882
4-Hydroxy-4-isopropenyl-2,3-diisopropoxy-6-methoxy-5-methyl-2,5-cyclohexadien-1-one
CID 10495163
3-Hydroxy-6-(hydroxymethyl)-2-(2-hydroxypropanoyl)pyran-4-one
CID 45093350
3-Hydroxy-6-(hydroxymethyl)-2-(1-hydroxypentyl)pyran-4-one
CID 21843404
4-Hydroxy-2,3-dimethoxy-6-methylcyclohexa-2,5-dien-1-one
CID 66794103
2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-diol
CID 69475602
2,3-Dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-diene-1,4-diol
CID 77658950

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one (CID 123261910) is 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one is COC1=C(OC)C(O)C(CC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O.
What is the InChIKey of 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one?
The InChIKey is VUROXRPQFBGHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h10,12,14,22,26H,8-9,11,13,15H2,1-7H3.
What are the key properties of 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one?
4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one has a molecular weight of 388.55 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dimethoxy-6-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 123261910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).