1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C21H25NO2 — CID 90335203

IUPAC1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COC1Cc2ccccc2C1)CN1CCc2ccccc2C1
InChIInChI=1S/C21H25NO2/c23-20(14-22-10-9-16-5-1-4-8-19(16)13-22)15-24-21-11-17-6-2-3-7-18(17)12-21/h1-8,20-21,23H,9-15H2
InChIKeyQRGYSSLCZFORLE-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.59
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 90335203) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID90335203
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COC1Cc2ccccc2C1)CN1CCc2ccccc2C1
InChIInChI=1S/C21H25NO2/c23-20(14-22-10-9-16-5-1-4-8-19(16)13-22)15-24-21-11-17-6-2-3-7-18(17)12-21/h1-8,20-21,23H,9-15H2
InChIKeyQRGYSSLCZFORLE-UHFFFAOYSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 90335203) is 1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is OC(COC1Cc2ccccc2C1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is QRGYSSLCZFORLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20(14-22-10-9-16-5-1-4-8-19(16)13-22)15-24-21-11-17-6-2-3-7-18(17)12-21/h1-8,20-21,23H,9-15H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 323.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 90335203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).