1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride

C15H20ClNO2 — CID 161294902

IUPAC1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
SMILESCCOC1C(O)CCC2N=Cc3ccccc3C21.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-18-15-13(17)8-7-12-14(15)11-6-4-3-5-10(11)9-16-12;/h3-6,9,12-15,17H,2,7-8H2,1H3;1H
InChIKeyONOSXUVAFNFLAF-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.55
Rot. Bonds2

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

1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride (PubChem CID 161294902) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride.

Molecular Properties

Compound Name1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
PubChem CID161294902
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
SMILESCCOC1C(O)CCC2N=Cc3ccccc3C21.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-18-15-13(17)8-7-12-14(15)11-6-4-3-5-10(11)9-16-12;/h3-6,9,12-15,17H,2,7-8H2,1H3;1H
InChIKeyONOSXUVAFNFLAF-UHFFFAOYSA-N
XLogP2.55
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,4a,10b-Hexahydrophenanthridin-2-ol
CID 17989071
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
1,2,3,4,4a,10b-Hexahydrophenanthridin-3-ol
CID 141121512
1-Methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
CID 141121513
1-Methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 141121514
(1-Methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl) methanesulfonate
CID 141121515
(1-Methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl) hydrogen sulfate
CID 141121528
1-Methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol
CID 141121964
1,2,3,4,4a,10b-Hexahydrophenanthridin-2-ol;hydrobromide
CID 141150428
1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;(2S)-2-hydroxybutanedioic acid
CID 160700766

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride?
The IUPAC name of 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride (CID 161294902) is 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride.
What is the SMILES notation for 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride?
The canonical SMILES for 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride is CCOC1C(O)CCC2N=Cc3ccccc3C21.Cl.
What is the InChIKey of 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride?
The InChIKey is ONOSXUVAFNFLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-2-18-15-13(17)8-7-12-14(15)11-6-4-3-5-10(11)9-16-12;/h3-6,9,12-15,17H,2,7-8H2,1H3;1H.
What are the key properties of 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride?
1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride is sourced from PubChem (CID 161294902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).