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

C13H16BrNO — CID 141150428

IUPAC1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide
SMILESBr.OC1CCC2N=Cc3ccccc3C2C1
InChIInChI=1S/C13H15NO.BrH/c15-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-14-13;/h1-4,8,10,12-13,15H,5-7H2;1H
InChIKeyBTYADXQUPWYMHP-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.69
Rot. Bonds

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

1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide (PubChem CID 141150428) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide.

Molecular Properties

Compound Name1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide
PubChem CID141150428
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide
SMILESBr.OC1CCC2N=Cc3ccccc3C2C1
InChIInChI=1S/C13H15NO.BrH/c15-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-14-13;/h1-4,8,10,12-13,15H,5-7H2;1H
InChIKeyBTYADXQUPWYMHP-UHFFFAOYSA-N
XLogP2.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(Benzylideneamino)cyclohexan-1-ol
CID 15864426
1,2,3,4,4a,10b-Hexahydrophenanthridin-2-ol
CID 17989071
3-(2-Hydroxy)ethyl 1-phenyl 3,4-dihydro isoquinoline hydrochloride
CID 20500932
(5S,6R)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol
CID 59649731
(5R,6S)-5-phenyl-4a,5,6,7,8,8a-hexahydroquinolin-6-ol
CID 59649735
2-[1-(2-Hydroxyethyl)-3,4-dihydroisoquinolin-3-yl]ethanol
CID 70424065
4a,10b-Dihydrophenanthridin-4-ol
CID 134427537
3,3-Dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol
CID 140532718
1-Ethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 140633805

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide?
The IUPAC name of 1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide (CID 141150428) is 1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide.
What is the SMILES notation for 1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide?
The canonical SMILES for 1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide is Br.OC1CCC2N=Cc3ccccc3C2C1.
What is the InChIKey of 1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide?
The InChIKey is BTYADXQUPWYMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.BrH/c15-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-14-13;/h1-4,8,10,12-13,15H,5-7H2;1H.
What are the key properties of 1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide?
1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide has a molecular weight of 282.18 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;hydrobromide is sourced from PubChem (CID 141150428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).