1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol

C21H25NO — CID 165351995

IUPAC1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)C1CCCc2cc3c(nc21)CCCC3
InChIInChI=1S/C21H25NO/c1-21(23,17-10-3-2-4-11-17)18-12-7-9-16-14-15-8-5-6-13-19(15)22-20(16)18/h2-4,10-11,14,18,23H,5-9,12-13H2,1H3
InChIKeyRXEYQPFMUHSIBD-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.29
Rot. Bonds2

About 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol

1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol (PubChem CID 165351995) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol.

Molecular Properties

Compound Name1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol
PubChem CID165351995
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)C1CCCc2cc3c(nc21)CCCC3
InChIInChI=1S/C21H25NO/c1-21(23,17-10-3-2-4-11-17)18-12-7-9-16-14-15-8-5-6-13-19(15)22-20(16)18/h2-4,10-11,14,18,23H,5-9,12-13H2,1H3
InChIKeyRXEYQPFMUHSIBD-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol 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 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol?
The IUPAC name of 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol (CID 165351995) is 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol.
What is the SMILES notation for 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol?
The canonical SMILES for 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol is CC(O)(c1ccccc1)C1CCCc2cc3c(nc21)CCCC3.
What is the InChIKey of 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol?
The InChIKey is RXEYQPFMUHSIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-21(23,17-10-3-2-4-11-17)18-12-7-9-16-14-15-8-5-6-13-19(15)22-20(16)18/h2-4,10-11,14,18,23H,5-9,12-13H2,1H3.
What are the key properties of 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol?
1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol has a molecular weight of 307.44 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)-1-phenylethanol is sourced from PubChem (CID 165351995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).