6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione

C24H28O4 — CID 5043511

IUPAC6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione
SMILESC=CC1=CCC2(C)C(=O)C(C)=C(C)C(=O)C2(C)C1c1ccccc1OCCO
InChIInChI=1S/C24H28O4/c1-6-17-11-12-23(4)21(26)15(2)16(3)22(27)24(23,5)20(17)18-9-7-8-10-19(18)28-14-13-25/h6-11,20,25H,1,12-14H2,2-5H3
InChIKeyIJWJACZUMCIYMN-UHFFFAOYSA-N
MW380.48 g/mol
LogP4.16
Rot. Bonds5

About 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione

6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione (PubChem CID 5043511) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione.

Molecular Properties

Compound Name6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione
PubChem CID5043511
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione
SMILESC=CC1=CCC2(C)C(=O)C(C)=C(C)C(=O)C2(C)C1c1ccccc1OCCO
InChIInChI=1S/C24H28O4/c1-6-17-11-12-23(4)21(26)15(2)16(3)22(27)24(23,5)20(17)18-9-7-8-10-19(18)28-14-13-25/h6-11,20,25H,1,12-14H2,2-5H3
InChIKeyIJWJACZUMCIYMN-UHFFFAOYSA-N
XLogP4.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione 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 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione?
The IUPAC name of 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione (CID 5043511) is 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione.
What is the SMILES notation for 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione?
The canonical SMILES for 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione is C=CC1=CCC2(C)C(=O)C(C)=C(C)C(=O)C2(C)C1c1ccccc1OCCO.
What is the InChIKey of 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione?
The InChIKey is IJWJACZUMCIYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c1-6-17-11-12-23(4)21(26)15(2)16(3)22(27)24(23,5)20(17)18-9-7-8-10-19(18)28-14-13-25/h6-11,20,25H,1,12-14H2,2-5H3.
What are the key properties of 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione?
6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione has a molecular weight of 380.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-[2-(2-hydroxyethoxy)phenyl]-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione is sourced from PubChem (CID 5043511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).