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

C21H23NO3 — CID 2293535

IUPAC10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O
InChIInChI=1S/C21H23NO3/c1-2-22-15-5-3-7-17(24)20(15)19(13-9-11-14(23)12-10-13)21-16(22)6-4-8-18(21)25/h9-12,19,23H,2-8H2,1H3
InChIKeyNHUJZKSWLHWUDD-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.83
Rot. Bonds2

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

10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 2293535) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID2293535
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O
InChIInChI=1S/C21H23NO3/c1-2-22-15-5-3-7-17(24)20(15)19(13-9-11-14(23)12-10-13)21-16(22)6-4-8-18(21)25/h9-12,19,23H,2-8H2,1H3
InChIKeyNHUJZKSWLHWUDD-UHFFFAOYSA-N
XLogP3.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 2293535) is 10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is CCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O.
What is the InChIKey of 10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is NHUJZKSWLHWUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-22-15-5-3-7-17(24)20(15)19(13-9-11-14(23)12-10-13)21-16(22)6-4-8-18(21)25/h9-12,19,23H,2-8H2,1H3.
What are the key properties of 10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 337.42 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 2293535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).