[6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone

C20H21NO2 — CID 10881363

IUPAC[6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone
SMILESCC(C)COc1ccc2c(c1)CCN=C2C(=O)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-14(2)13-23-17-8-9-18-16(12-17)10-11-21-19(18)20(22)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyQPWUSIQIJOBMAE-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.95
Rot. Bonds5

About [6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone

[6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone (PubChem CID 10881363) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone
PubChem CID10881363
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone
SMILESCC(C)COc1ccc2c(c1)CCN=C2C(=O)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-14(2)13-23-17-8-9-18-16(12-17)10-11-21-19(18)20(22)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyQPWUSIQIJOBMAE-UHFFFAOYSA-N
XLogP3.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone?
The IUPAC name of [6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone (CID 10881363) is [6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone.
What is the SMILES notation for [6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone?
The canonical SMILES for [6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone is CC(C)COc1ccc2c(c1)CCN=C2C(=O)c1ccccc1.
What is the InChIKey of [6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone?
The InChIKey is QPWUSIQIJOBMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14(2)13-23-17-8-9-18-16(12-17)10-11-21-19(18)20(22)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of [6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone?
[6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone has a molecular weight of 307.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylpropoxy)-3,4-dihydroisoquinolin-1-yl]-phenylmethanone is sourced from PubChem (CID 10881363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).