1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol

C19H23NO2 — CID 2882945

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H23NO2/c21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20/h1-9,19,21H,10-15H2
InChIKeyWPJZTIVXTMTTDV-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.62
Rot. Bonds6

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 2882945) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol
PubChem CID2882945
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H23NO2/c21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20/h1-9,19,21H,10-15H2
InChIKeyWPJZTIVXTMTTDV-UHFFFAOYSA-N
XLogP2.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol (CID 2882945) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is WPJZTIVXTMTTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20/h1-9,19,21H,10-15H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 2882945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).