1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol

C13H15NO — CID 141121512

IUPAC1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol
SMILESOC1CCC2c3ccccc3C=NC2C1
InChIInChI=1S/C13H15NO/c15-10-5-6-12-11-4-2-1-3-9(11)8-14-13(12)7-10/h1-4,8,10,12-13,15H,5-7H2
InChIKeyFDHDZOLZVOKQNN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.12
Rot. Bonds

About 1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol

1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol (PubChem CID 141121512) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol.

Molecular Properties

Compound Name1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol
PubChem CID141121512
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol
SMILESOC1CCC2c3ccccc3C=NC2C1
InChIInChI=1S/C13H15NO/c15-10-5-6-12-11-4-2-1-3-9(11)8-14-13(12)7-10/h1-4,8,10,12-13,15H,5-7H2
InChIKeyFDHDZOLZVOKQNN-UHFFFAOYSA-N
XLogP2.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Hydroxymethyl)-3,4-di-hydroisoquinoline
CID 18663695
Tetrahydrophenanthridone
CID 136431380
[(3S)-3,4-dihydroisoquinolin-3-yl]methanol
CID 10374731
2-(1-Phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
CID 13069558
1,2,3,4,4a,10b-Hexahydrophenanthridin-2-ol
CID 17989071
3-(2-Hydroxy)ethyl 1-phenyl 3,4-dihydro isoquinoline hydrochloride
CID 20500932
(7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol
CID 59663848
(7R,8R)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol
CID 59663849
2-[1-(2-Hydroxyethyl)-3,4-dihydroisoquinolin-3-yl]ethanol
CID 70424065
4a,10b-Dihydrophenanthridin-4-ol
CID 134427537
1-Ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 140633805
1,2,3,4,4a,10b-Hexahydrophenanthridin-2-ol;hydrochloride
CID 141121509

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol?
The IUPAC name of 1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol (CID 141121512) is 1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol.
What is the SMILES notation for 1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol?
The canonical SMILES for 1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol is OC1CCC2c3ccccc3C=NC2C1.
What is the InChIKey of 1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol?
The InChIKey is FDHDZOLZVOKQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-10-5-6-12-11-4-2-1-3-9(11)8-14-13(12)7-10/h1-4,8,10,12-13,15H,5-7H2.
What are the key properties of 1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol?
1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol has a molecular weight of 201.27 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol is sourced from PubChem (CID 141121512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).