4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione

C19H20O3 — CID 57205271

IUPAC4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
SMILESCOc1cccc(C=CC2=C3CCC(=O)C3(C)CCC2=O)c1
InChIInChI=1S/C19H20O3/c1-19-11-10-17(20)15(16(19)8-9-18(19)21)7-6-13-4-3-5-14(12-13)22-2/h3-7,12H,8-11H2,1-2H3
InChIKeyKZDILUFKDJKQLV-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.74
Rot. Bonds3

About 4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione

4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione (PubChem CID 57205271) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
PubChem CID57205271
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
SMILESCOc1cccc(C=CC2=C3CCC(=O)C3(C)CCC2=O)c1
InChIInChI=1S/C19H20O3/c1-19-11-10-17(20)15(16(19)8-9-18(19)21)7-6-13-4-3-5-14(12-13)22-2/h3-7,12H,8-11H2,1-2H3
InChIKeyKZDILUFKDJKQLV-UHFFFAOYSA-N
XLogP3.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione?
The IUPAC name of 4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione (CID 57205271) is 4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione?
The canonical SMILES for 4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione is COc1cccc(C=CC2=C3CCC(=O)C3(C)CCC2=O)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione?
The InChIKey is KZDILUFKDJKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-19-11-10-17(20)15(16(19)8-9-18(19)21)7-6-13-4-3-5-14(12-13)22-2/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione?
4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione has a molecular weight of 296.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)ethenyl]-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione is sourced from PubChem (CID 57205271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).