9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C26H33NO3 — CID 1072592

IUPAC9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C26H33NO3/c1-6-11-27-18-12-25(2,3)14-20(29)23(18)22(16-7-9-17(28)10-8-16)24-19(27)13-26(4,5)15-21(24)30/h7-10,22,28H,6,11-15H2,1-5H3
InChIKeyXWEUNXNOTUXDHV-UHFFFAOYSA-N
MW407.55 g/mol
LogP5.49
Rot. Bonds3

About 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 1072592) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID1072592
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C26H33NO3/c1-6-11-27-18-12-25(2,3)14-20(29)23(18)22(16-7-9-17(28)10-8-16)24-19(27)13-26(4,5)15-21(24)30/h7-10,22,28H,6,11-15H2,1-5H3
InChIKeyXWEUNXNOTUXDHV-UHFFFAOYSA-N
XLogP5.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.55
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 1072592) is 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is XWEUNXNOTUXDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO3/c1-6-11-27-18-12-25(2,3)14-20(29)23(18)22(16-7-9-17(28)10-8-16)24-19(27)13-26(4,5)15-21(24)30/h7-10,22,28H,6,11-15H2,1-5H3.
What are the key properties of 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 407.55 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 1072592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).