6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione

C23H26O3 — CID 3428553

IUPAC6-ethenyl-5-(4-hydroxy-3-methylphenyl)-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)C1c1ccc(O)c(C)c1
InChIInChI=1S/C23H26O3/c1-7-16-10-11-22(5)20(25)14(3)15(4)21(26)23(22,6)19(16)17-8-9-18(24)13(2)12-17/h7-10,12,19,24H,1,11H2,2-6H3
InChIKeyLABGUBFTVMNRBA-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.80
Rot. Bonds2

About 6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione

6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione (PubChem CID 3428553) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione.

Molecular Properties

Compound Name6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione
PubChem CID3428553
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name6-ethenyl-5-(4-hydroxy-3-methylphenyl)-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)C1c1ccc(O)c(C)c1
InChIInChI=1S/C23H26O3/c1-7-16-10-11-22(5)20(25)14(3)15(4)21(26)23(22,6)19(16)17-8-9-18(24)13(2)12-17/h7-10,12,19,24H,1,11H2,2-6H3
InChIKeyLABGUBFTVMNRBA-UHFFFAOYSA-N
XLogP4.80
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione?
The IUPAC name of 6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione (CID 3428553) is 6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione.
What is the SMILES notation for 6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione?
The canonical SMILES for 6-ethenyl-5-(4-hydroxy-3-methylphenyl)-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)C1c1ccc(O)c(C)c1.
What is the InChIKey of 6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione?
The InChIKey is LABGUBFTVMNRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-7-16-10-11-22(5)20(25)14(3)15(4)21(26)23(22,6)19(16)17-8-9-18(24)13(2)12-17/h7-10,12,19,24H,1,11H2,2-6H3.
What are the key properties of 6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione?
6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione has a molecular weight of 350.46 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-(4-hydroxy-3-methylphenyl)-2,3,4a,8a-tetramethyl-5,8-dihydronaphthalene-1,4-dione is sourced from PubChem (CID 3428553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).