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

C14H17NO2 — CID 141121964

IUPAC1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol
SMILESCOC1CC(O)CC2N=Cc3ccccc3C21
InChIInChI=1S/C14H17NO2/c1-17-13-7-10(16)6-12-14(13)11-5-3-2-4-9(11)8-15-12/h2-5,8,10,12-14,16H,6-7H2,1H3
InChIKeyRJCJGSWSQJGVQZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.74
Rot. Bonds1

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

1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol (PubChem CID 141121964) 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-3-ol.

Molecular Properties

Compound Name1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol
PubChem CID141121964
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol
SMILESCOC1CC(O)CC2N=Cc3ccccc3C21
InChIInChI=1S/C14H17NO2/c1-17-13-7-10(16)6-12-14(13)11-5-3-2-4-9(11)8-15-12/h2-5,8,10,12-14,16H,6-7H2,1H3
InChIKeyRJCJGSWSQJGVQZ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S,8S)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol
CID 59663848
(7R,8R)-8-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-7-ol
CID 59663849
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-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
4-Methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 141121961
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-3-ol?
The IUPAC name of 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol (CID 141121964) is 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol.
What is the SMILES notation for 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol?
The canonical SMILES for 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol is COC1CC(O)CC2N=Cc3ccccc3C21.
What is the InChIKey of 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol?
The InChIKey is RJCJGSWSQJGVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-13-7-10(16)6-12-14(13)11-5-3-2-4-9(11)8-15-12/h2-5,8,10,12-14,16H,6-7H2,1H3.
What are the key properties of 1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-ol?
1-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-3-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-3-ol is sourced from PubChem (CID 141121964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).