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

C14H17NO2 — CID 141121514

IUPAC1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCOC1C(O)CCC2N=Cc3ccccc3C21
InChIInChI=1S/C14H17NO2/c1-17-14-12(16)7-6-11-13(14)10-5-3-2-4-9(10)8-15-11/h2-5,8,11-14,16H,6-7H2,1H3
InChIKeyZDTDTUXOZZIFAA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.74
Rot. Bonds1

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

1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (PubChem CID 141121514) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.

Molecular Properties

Compound Name1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
PubChem CID141121514
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCOC1C(O)CCC2N=Cc3ccccc3C21
InChIInChI=1S/C14H17NO2/c1-17-14-12(16)7-6-11-13(14)10-5-3-2-4-9(10)8-15-11/h2-5,8,11-14,16H,6-7H2,1H3
InChIKeyZDTDTUXOZZIFAA-UHFFFAOYSA-N
XLogP1.74
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.74
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
(5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol
CID 59649731
(5R,6S)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol
CID 59649735
1,1-dimethoxy-3,4,4a,10b-tetrahydro-2H-phenanthridine
CID 139929330
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-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

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The IUPAC name of 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (CID 141121514) is 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.
What is the SMILES notation for 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The canonical SMILES for 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is COC1C(O)CCC2N=Cc3ccccc3C21.
What is the InChIKey of 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The InChIKey is ZDTDTUXOZZIFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-14-12(16)7-6-11-13(14)10-5-3-2-4-9(10)8-15-11/h2-5,8,11-14,16H,6-7H2,1H3.
What are the key properties of 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol has a molecular weight of 231.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is sourced from PubChem (CID 141121514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).