5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol

C15H13NO3 — CID 86574385

IUPAC5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol
SMILESCN1Cc2cc3c(cc2-c2cc(O)ccc21)OCO3
InChIInChI=1S/C15H13NO3/c1-16-7-9-4-14-15(19-8-18-14)6-11(9)12-5-10(17)2-3-13(12)16/h2-6,17H,7-8H2,1H3
InChIKeyOLIMKRZHQNGQQN-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.74
Rot. Bonds

About 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol

5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol (PubChem CID 86574385) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol.

Molecular Properties

Compound Name5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol
PubChem CID86574385
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol
SMILESCN1Cc2cc3c(cc2-c2cc(O)ccc21)OCO3
InChIInChI=1S/C15H13NO3/c1-16-7-9-4-14-15(19-8-18-14)6-11(9)12-5-10(17)2-3-13(12)16/h2-6,17H,7-8H2,1H3
InChIKeyOLIMKRZHQNGQQN-UHFFFAOYSA-N
XLogP2.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dihydro-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline
CID 161899
Dihydronitidine
CID 99641
Anhydrolycorine
CID 619567
4-Ethyl-5-methyl-5,6-dihydro-[1,3]dioxolo[4,5-j]phenanthridine
CID 44422459
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-3,4-dihydro-2H-quinoline
CID 3009245
Assoanine
CID 443725
1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazine
CID 791168
3-(2,3-dimethoxy-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-12-yl)-N,N-dimethylpropan-1-amine
CID 145972907
Ismine
CID 188957
5,6-Dihydrobicolorine
CID 375118
4-[[1,3-Benzodioxol-5-yl-[(3,4-dihydroxyphenyl)methyl]amino]methyl]benzene-1,2-diol
CID 16659012
4-[4-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperazin-1-yl]phenol
CID 16749047

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol?
The IUPAC name of 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol (CID 86574385) is 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol.
What is the SMILES notation for 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol?
The canonical SMILES for 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol is CN1Cc2cc3c(cc2-c2cc(O)ccc21)OCO3.
What is the InChIKey of 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol?
The InChIKey is OLIMKRZHQNGQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-16-7-9-4-14-15(19-8-18-14)6-11(9)12-5-10(17)2-3-13(12)16/h2-6,17H,7-8H2,1H3.
What are the key properties of 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol?
5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol has a molecular weight of 255.27 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol is sourced from PubChem (CID 86574385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).