3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol

C15H23NO — CID 114079972

IUPAC3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol
SMILESCCCC(O)(CC)C1CCc2ccccc2N1
InChIInChI=1S/C15H23NO/c1-3-11-15(17,4-2)14-10-9-12-7-5-6-8-13(12)16-14/h5-8,14,16-17H,3-4,9-11H2,1-2H3
InChIKeySCIUFWQIZSWURK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.35
Rot. Bonds4

About 3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol

3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol (PubChem CID 114079972) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol
PubChem CID114079972
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol
SMILESCCCC(O)(CC)C1CCc2ccccc2N1
InChIInChI=1S/C15H23NO/c1-3-11-15(17,4-2)14-10-9-12-7-5-6-8-13(12)16-14/h5-8,14,16-17H,3-4,9-11H2,1-2H3
InChIKeySCIUFWQIZSWURK-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
CID 65042148
3,3-dimethyl-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
CID 115401133
1-cyclohexyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanol
CID 114794993
1-(methylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
CID 66037691
4-(tert-butylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
CID 66001867
4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
CID 83076109
2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol
CID 80558775
2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660
1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
CID 66038474
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol
CID 65042828

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol?
The IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol (CID 114079972) is 3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol?
The canonical SMILES for 3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol is CCCC(O)(CC)C1CCc2ccccc2N1.
What is the InChIKey of 3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol?
The InChIKey is SCIUFWQIZSWURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-11-15(17,4-2)14-10-9-12-7-5-6-8-13(12)16-14/h5-8,14,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol?
3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol has a molecular weight of 233.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroquinolin-2-yl)hexan-3-ol is sourced from PubChem (CID 114079972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).