2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one

C24H26O6 — CID 89405659

IUPAC2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one
SMILESCOc1cc(OC)cc(-c2cc(=O)c3c(OC)cc(OC)c(CC=C(C)C)c3o2)c1
InChIInChI=1S/C24H26O6/c1-14(2)7-8-18-21(28-5)13-22(29-6)23-19(25)12-20(30-24(18)23)15-9-16(26-3)11-17(10-15)27-4/h7,9-13H,8H2,1-6H3
InChIKeyATHUGPWSLFSXTF-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.00
Rot. Bonds7

About 2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one

2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one (PubChem CID 89405659) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one
PubChem CID89405659
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one
SMILESCOc1cc(OC)cc(-c2cc(=O)c3c(OC)cc(OC)c(CC=C(C)C)c3o2)c1
InChIInChI=1S/C24H26O6/c1-14(2)7-8-18-21(28-5)13-22(29-6)23-19(25)12-20(30-24(18)23)15-9-16(26-3)11-17(10-15)27-4/h7,9-13H,8H2,1-6H3
InChIKeyATHUGPWSLFSXTF-UHFFFAOYSA-N
XLogP5.00
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 6481172
2-(furan-2-yl)-7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 166172029
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 44562556
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one
CID 139750917
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 5281903
7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
CID 24880410
2-(4-bromophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 139750916
2-(4-chlorophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 59152467
[4-[7-acetyloxy-5-methoxy-8-(3-methylbut-2-enyl)-4-oxochromen-3-yl]phenyl] acetate
CID 634865
[7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 23259396
2-[3,4-dihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 131676093
5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
CID 21147603

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one (CID 89405659) is 2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one is COc1cc(OC)cc(-c2cc(=O)c3c(OC)cc(OC)c(CC=C(C)C)c3o2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one?
The InChIKey is ATHUGPWSLFSXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-14(2)7-8-18-21(28-5)13-22(29-6)23-19(25)12-20(30-24(18)23)15-9-16(26-3)11-17(10-15)27-4/h7,9-13H,8H2,1-6H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one?
2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one has a molecular weight of 410.47 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-4-one is sourced from PubChem (CID 89405659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).