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

C14H18ClNO2 — CID 141121513

IUPAC1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
SMILESCOC1C(O)CCC2N=Cc3ccccc3C21.Cl
InChIInChI=1S/C14H17NO2.ClH/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;1H
InChIKeyWOCXKPZBLOOVOJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.16
Rot. Bonds1

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

1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride (PubChem CID 141121513) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride.

Molecular Properties

Compound Name1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
PubChem CID141121513
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride
SMILESCOC1C(O)CCC2N=Cc3ccccc3C21.Cl
InChIInChI=1S/C14H17NO2.ClH/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;1H
InChIKeyWOCXKPZBLOOVOJ-UHFFFAOYSA-N
XLogP2.16
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.16
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-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
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-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride?
The IUPAC name of 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride (CID 141121513) is 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride.
What is the SMILES notation for 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride?
The canonical SMILES for 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride is COC1C(O)CCC2N=Cc3ccccc3C21.Cl.
What is the InChIKey of 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride?
The InChIKey is WOCXKPZBLOOVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/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;1H.
What are the key properties of 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride?
1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.16, 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;hydrochloride is sourced from PubChem (CID 141121513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).