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

C15H19NO2 — CID 140633805

IUPAC1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCCOC1C(O)CCC2N=Cc3ccccc3C21
InChIInChI=1S/C15H19NO2/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
InChIKeyVGVOWNXXJNSIMG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.13
Rot. Bonds2

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

1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (PubChem CID 140633805) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.

Molecular Properties

Compound Name1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
PubChem CID140633805
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCCOC1C(O)CCC2N=Cc3ccccc3C21
InChIInChI=1S/C15H19NO2/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
InChIKeyVGVOWNXXJNSIMG-UHFFFAOYSA-N
XLogP2.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.13
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
1,1-dimethoxy-3,4,4a,10b-tetrahydro-2H-phenanthridine
CID 139929330
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
1-Ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
CID 161294902

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The IUPAC name of 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (CID 140633805) is 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.
What is the SMILES notation for 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The canonical SMILES for 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is CCOC1C(O)CCC2N=Cc3ccccc3C21.
What is the InChIKey of 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The InChIKey is VGVOWNXXJNSIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/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.
What are the key properties of 1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
1-ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol has a molecular weight of 245.32 g/mol, XLogP of 2.13, 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 is sourced from PubChem (CID 140633805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).