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

C14H17NO2 — CID 141121961

IUPAC4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCOC1CC(O)CC2c3ccccc3C=NC12
InChIInChI=1S/C14H17NO2/c1-17-13-7-10(16)6-12-11-5-3-2-4-9(11)8-15-14(12)13/h2-5,8,10,12-14,16H,6-7H2,1H3
InChIKeyZGZDAWMNTRHEJC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.74
Rot. Bonds1

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

4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (PubChem CID 141121961) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.

Molecular Properties

Compound Name4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
PubChem CID141121961
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCOC1CC(O)CC2c3ccccc3C=NC12
InChIInChI=1S/C14H17NO2/c1-17-13-7-10(16)6-12-11-5-3-2-4-9(11)8-15-14(12)13/h2-5,8,10,12-14,16H,6-7H2,1H3
InChIKeyZGZDAWMNTRHEJC-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
1,2,3,4,4a,10b-Hexahydrophenanthridin-2-ol;hydrochloride
CID 141121509
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
2-[3-(1-Methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol
CID 170127037
5,5-Dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol
CID 10320116

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The IUPAC name of 4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (CID 141121961) is 4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.
What is the SMILES notation for 4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The canonical SMILES for 4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is COC1CC(O)CC2c3ccccc3C=NC12.
What is the InChIKey of 4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The InChIKey is ZGZDAWMNTRHEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-13-7-10(16)6-12-11-5-3-2-4-9(11)8-15-14(12)13/h2-5,8,10,12-14,16H,6-7H2,1H3.
What are the key properties of 4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
4-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 4-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is sourced from PubChem (CID 141121961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).