1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol

C14H15NO2 — CID 50916057

IUPAC1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
SMILESCC1(c2ccco2)NCCc2cc(O)ccc21
InChIInChI=1S/C14H15NO2/c1-14(13-3-2-8-17-13)12-5-4-11(16)9-10(12)6-7-15-14/h2-5,8-9,15-16H,6-7H2,1H3
InChIKeyQZVRZLKLYDKENL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.39
Rot. Bonds1

About 1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol

1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol (PubChem CID 50916057) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
PubChem CID50916057
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
SMILESCC1(c2ccco2)NCCc2cc(O)ccc21
InChIInChI=1S/C14H15NO2/c1-14(13-3-2-8-17-13)12-5-4-11(16)9-10(12)6-7-15-14/h2-5,8-9,15-16H,6-7H2,1H3
InChIKeyQZVRZLKLYDKENL-UHFFFAOYSA-N
XLogP2.39
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dihydroxy-[4-(6-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)phenyl]azanium
CID 163152372
1-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol
CID 50915886
1,1-dimethyl-3,4-dihydro-2H-isoquinolin-7-ol
CID 84717936
spiro[1,2-dihydroindene-3,1'-3,4-dihydro-2H-isoquinoline]-6'-ol
CID 50915885
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
spiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]-7-ol
CID 115017855
6-chloro-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 170992748
1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline
CID 15339033
(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
CID 10220811
4-(furan-2-yl)-4-methylpiperidine
CID 83815867
2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride
CID 115036395

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol?
The IUPAC name of 1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol (CID 50916057) is 1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol.
What is the SMILES notation for 1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol?
The canonical SMILES for 1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol is CC1(c2ccco2)NCCc2cc(O)ccc21.
What is the InChIKey of 1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol?
The InChIKey is QZVRZLKLYDKENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(13-3-2-8-17-13)12-5-4-11(16)9-10(12)6-7-15-14/h2-5,8-9,15-16H,6-7H2,1H3.
What are the key properties of 1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol?
1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol has a molecular weight of 229.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-methyl-3,4-dihydro-2H-isoquinolin-6-ol is sourced from PubChem (CID 50916057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).