(4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol

C15H21NO — CID 86733867

IUPAC(4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol
SMILESCC1(C)c2cc(O)ccc2C[C@@H]2NCCC[C@@H]21
InChIInChI=1S/C15H21NO/c1-15(2)12-4-3-7-16-14(12)8-10-5-6-11(17)9-13(10)15/h5-6,9,12,14,16-17H,3-4,7-8H2,1-2H3/t12-,14-/m0/s1
InChIKeyWPKDGJFABFSRDC-JSGCOSHPSA-N
MW231.34 g/mol
LogP2.59
Rot. Bonds

About (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol

(4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol (PubChem CID 86733867) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol.

Molecular Properties

Compound Name(4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol
PubChem CID86733867
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol
SMILESCC1(C)c2cc(O)ccc2C[C@@H]2NCCC[C@@H]21
InChIInChI=1S/C15H21NO/c1-15(2)12-4-3-7-16-14(12)8-10-5-6-11(17)9-13(10)15/h5-6,9,12,14,16-17H,3-4,7-8H2,1-2H3/t12-,14-/m0/s1
InChIKeyWPKDGJFABFSRDC-JSGCOSHPSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol with MolForge

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Related Compounds

(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
CID 90679265
(4aS,10aS)-1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 54496451
1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 21436194
(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
CID 54031293
(1S,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 124562991
1-methyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-trien-4-ol
CID 12880322
(4aS,10aR)-5,5-dimethyl-1-(2-methylprop-2-enyl)-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
CID 54447570
1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 83359300
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-4-ol
CID 67605072
[(2S,3R)-7-hydroxy-1,1-dimethyl-3-methylsulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium
CID 59925107
2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol
CID 84663247
4-[[(1R,9R,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-5-yl]amino]benzene-1,3-diol
CID 66960731

Frequently Asked Questions

What is the IUPAC name of (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol?
The IUPAC name of (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol (CID 86733867) is (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol.
What is the SMILES notation for (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol?
The canonical SMILES for (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol is CC1(C)c2cc(O)ccc2C[C@@H]2NCCC[C@@H]21.
What is the InChIKey of (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol?
The InChIKey is WPKDGJFABFSRDC-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2)12-4-3-7-16-14(12)8-10-5-6-11(17)9-13(10)15/h5-6,9,12,14,16-17H,3-4,7-8H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol?
(4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol has a molecular weight of 231.34 g/mol, XLogP of 2.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol is sourced from PubChem (CID 86733867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).