2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol

C15H17NO2 — CID 82044560

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol
SMILESOC(CN1CCc2ccccc2C1)c1ccco1
InChIInChI=1S/C15H17NO2/c17-14(15-6-3-9-18-15)11-16-8-7-12-4-1-2-5-13(12)10-16/h1-6,9,14,17H,7-8,10-11H2
InChIKeyHVAGKLDHRHBWCR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol (PubChem CID 82044560) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol
PubChem CID82044560
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol
SMILESOC(CN1CCc2ccccc2C1)c1ccco1
InChIInChI=1S/C15H17NO2/c17-14(15-6-3-9-18-15)11-16-8-7-12-4-1-2-5-13(12)10-16/h1-6,9,14,17H,7-8,10-11H2
InChIKeyHVAGKLDHRHBWCR-UHFFFAOYSA-N
XLogP2.37
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol
CID 39389983
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90241538
2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride
CID 71783363
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid
CID 93107764
2-(2-chloro-2-phenylethyl)-3,4-dihydro-1H-isoquinoline
CID 82214226
1-(cyclopropylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 43165764
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 94177110
(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97038867
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol (CID 82044560) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol is OC(CN1CCc2ccccc2C1)c1ccco1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol?
The InChIKey is HVAGKLDHRHBWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-14(15-6-3-9-18-15)11-16-8-7-12-4-1-2-5-13(12)10-16/h1-6,9,14,17H,7-8,10-11H2.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol has a molecular weight of 243.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol is sourced from PubChem (CID 82044560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).