(6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol

C18H18BrNO2 — CID 139760126

IUPAC(6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol
SMILESCOc1cc2c(cc1O)[C@@H]1c3cccc(Br)c3CN[C@H]1CC2
InChIInChI=1S/C18H18BrNO2/c1-22-17-7-10-5-6-15-18(12(10)8-16(17)21)11-3-2-4-14(19)13(11)9-20-15/h2-4,7-8,15,18,20-21H,5-6,9H2,1H3/t15-,18-/m0/s1
InChIKeyFLLGGWOCRNVOFU-YJBOKZPZSA-N
MW360.25 g/mol
LogP3.71
Rot. Bonds1

About (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol

(6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol (PubChem CID 139760126) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol.

Molecular Properties

Compound Name(6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol
PubChem CID139760126
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name(6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol
SMILESCOc1cc2c(cc1O)[C@@H]1c3cccc(Br)c3CN[C@H]1CC2
InChIInChI=1S/C18H18BrNO2/c1-22-17-7-10-5-6-15-18(12(10)8-16(17)21)11-3-2-4-14(19)13(11)9-20-15/h2-4,7-8,15,18,20-21H,5-6,9H2,1H3/t15-,18-/m0/s1
InChIKeyFLLGGWOCRNVOFU-YJBOKZPZSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-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

(6aS,12bR)-10,11-dimethoxy-2-methyl-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine;hydrochloride
CID 86613416
(6aS,12bR)-2-methyl-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
CID 57340488
(1S,10R)-4,5-dimethoxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene;hydrochloride
CID 70198156
(5S)-8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
CID 102328393
10-bromo-11-methoxy-8-methyl-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine
CID 67909236
(1R,10R)-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol
CID 10734132
(1R)-1-amino-6-methoxy-2,3-dihydro-1H-inden-5-ol
CID 130688462
(1R,10S)-15-propan-2-yl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol
CID 10519435
[(1S,10R)-5-hydroxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaen-4-yl] acetate
CID 10406061
(1R,10S)-15-butyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol;hydrobromide
CID 139755654
4-bromo-2-methoxy-5-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 118001193
6,7-diethyl-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 78192297

Frequently Asked Questions

What is the IUPAC name of (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol?
The IUPAC name of (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol (CID 139760126) is (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol.
What is the SMILES notation for (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol?
The canonical SMILES for (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol is COc1cc2c(cc1O)[C@@H]1c3cccc(Br)c3CN[C@H]1CC2.
What is the InChIKey of (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol?
The InChIKey is FLLGGWOCRNVOFU-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-22-17-7-10-5-6-15-18(12(10)8-16(17)21)11-3-2-4-14(19)13(11)9-20-15/h2-4,7-8,15,18,20-21H,5-6,9H2,1H3/t15-,18-/m0/s1.
What are the key properties of (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol?
(6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol has a molecular weight of 360.25 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,12bR)-4-bromo-10-methoxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridin-11-ol is sourced from PubChem (CID 139760126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).