4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one

C26H30O3 — CID 162862783

IUPAC4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one
SMILESC=CCc1cc(C)ccc1C=CC=CC(C)=CCc1oc(=O)c(C)c(OC)c1C
InChIInChI=1S/C26H30O3/c1-7-10-23-17-19(3)13-15-22(23)12-9-8-11-18(2)14-16-24-20(4)25(28-6)21(5)26(27)29-24/h7-9,11-15,17H,1,10,16H2,2-6H3
InChIKeyFDDUXCZCGGJQHT-UHFFFAOYSA-N
MW390.52 g/mol
LogP6.06
Rot. Bonds8

About 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one

4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one (PubChem CID 162862783) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one
PubChem CID162862783
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one
SMILESC=CCc1cc(C)ccc1C=CC=CC(C)=CCc1oc(=O)c(C)c(OC)c1C
InChIInChI=1S/C26H30O3/c1-7-10-23-17-19(3)13-15-22(23)12-9-8-11-18(2)14-16-24-20(4)25(28-6)21(5)26(27)29-24/h7-9,11-15,17H,1,10,16H2,2-6H3
InChIKeyFDDUXCZCGGJQHT-UHFFFAOYSA-N
XLogP6.06
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-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

Desmethoxyyangonin
CID 5273621
Nigerapyrone B
CID 53483952
Asnipyrone A
CID 53483955
nigerapyrone A
CID 53493727
Asnipyrone B
CID 56679815
2-Propenoic acid, 3-[2,4-bis(1-methylethyl)phenyl]-, ethyl ester
CID 22172571
Nigerapyrone F
CID 53493848
Nigerapyrone G
CID 53493849
Nigerapyrone H
CID 53493850
2H-Pyran-2-one, 6-[2-E-(4-tolyl)ethenyl]-4-methoxy-
CID 5377028
2H-Pyran-2-one, 6-[2-E-(3-tolyl)ethenyl]-4-methoxy-
CID 5377029
2H-Pyran-2-one, 6-[2-E-(2-tolyl)ethenyl]-4-methoxy-
CID 5377036

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one?
The IUPAC name of 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one (CID 162862783) is 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one?
The canonical SMILES for 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one is C=CCc1cc(C)ccc1C=CC=CC(C)=CCc1oc(=O)c(C)c(OC)c1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one?
The InChIKey is FDDUXCZCGGJQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-7-10-23-17-19(3)13-15-22(23)12-9-8-11-18(2)14-16-24-20(4)25(28-6)21(5)26(27)29-24/h7-9,11-15,17H,1,10,16H2,2-6H3.
What are the key properties of 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one?
4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one has a molecular weight of 390.52 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one is sourced from PubChem (CID 162862783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).