spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol

C17H17NO — CID 50915885

IUPACspiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol
SMILESOc1ccc2c(c1)CCNC21CCc2ccccc21
InChIInChI=1S/C17H17NO/c19-14-5-6-16-13(11-14)8-10-18-17(16)9-7-12-3-1-2-4-15(12)17/h1-6,11,18-19H,7-10H2
InChIKeySITBZVQMMTUUPT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.73
Rot. Bonds

About spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol

spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol (PubChem CID 50915885) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol
PubChem CID50915885
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Namespiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol
SMILESOc1ccc2c(c1)CCNC21CCc2ccccc21
InChIInChI=1S/C17H17NO/c19-14-5-6-16-13(11-14)8-10-18-17(16)9-7-12-3-1-2-4-15(12)17/h1-6,11,18-19H,7-10H2
InChIKeySITBZVQMMTUUPT-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol with MolForge

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Related Compounds

spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol
CID 115017855
1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
CID 50916057
1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
CID 84717936
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
CID 91557907
spiro[1,3-dihydroindene-2,6'-7,8-dihydro-5H-naphthalene]-2'-ol
CID 91293729
5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol
CID 168876491
(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)carbamic acid
CID 18935215
1,1-dimethyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 67224173
1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
CID 50915886
2-[3-(2-hydroxyphenyl)thiomorpholin-3-yl]phenol
CID 57033622
dihydroxy-[4-(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)phenyl]azanium
CID 163152372
1,1-diphenyl-3,4-dihydro-2H-isoquinoline
CID 59396601

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol?
The IUPAC name of spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol (CID 50915885) is spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol.
What is the SMILES notation for spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol?
The canonical SMILES for spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol is Oc1ccc2c(c1)CCNC21CCc2ccccc21.
What is the InChIKey of spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol?
The InChIKey is SITBZVQMMTUUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-14-5-6-16-13(11-14)8-10-18-17(16)9-7-12-3-1-2-4-15(12)17/h1-6,11,18-19H,7-10H2.
What are the key properties of spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol?
spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol has a molecular weight of 251.33 g/mol, XLogP of 2.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol is sourced from PubChem (CID 50915885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).