9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C20H21NO3 — CID 704550

IUPAC9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O
InChIInChI=1S/C20H21NO3/c1-21-14-4-2-6-16(23)19(14)18(12-8-10-13(22)11-9-12)20-15(21)5-3-7-17(20)24/h8-11,18,22H,2-7H2,1H3
InChIKeyVMBLXXXTKFZUAI-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.44
Rot. Bonds1

About 9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 704550) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID704550
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O
InChIInChI=1S/C20H21NO3/c1-21-14-4-2-6-16(23)19(14)18(12-8-10-13(22)11-9-12)20-15(21)5-3-7-17(20)24/h8-11,18,22H,2-7H2,1H3
InChIKeyVMBLXXXTKFZUAI-UHFFFAOYSA-N
XLogP3.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 704550) is 9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is CN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O.
What is the InChIKey of 9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is VMBLXXXTKFZUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-21-14-4-2-6-16(23)19(14)18(12-8-10-13(22)11-9-12)20-15(21)5-3-7-17(20)24/h8-11,18,22H,2-7H2,1H3.
What are the key properties of 9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 323.39 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 704550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).