1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol

C18H19NO2 — CID 70479782

IUPAC1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol
SMILESCCCOc1ccc2c(c1)C(c1ccccc1)=NC(O)C2
InChIInChI=1S/C18H19NO2/c1-2-10-21-15-9-8-14-11-17(20)19-18(16(14)12-15)13-6-4-3-5-7-13/h3-9,12,17,20H,2,10-11H2,1H3
InChIKeyZSYFGXRVGOYIER-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.19
Rot. Bonds4

About 1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol

1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol (PubChem CID 70479782) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol.

Molecular Properties

Compound Name1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol
PubChem CID70479782
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol
SMILESCCCOc1ccc2c(c1)C(c1ccccc1)=NC(O)C2
InChIInChI=1S/C18H19NO2/c1-2-10-21-15-9-8-14-11-17(20)19-18(16(14)12-15)13-6-4-3-5-7-13/h3-9,12,17,20H,2,10-11H2,1H3
InChIKeyZSYFGXRVGOYIER-UHFFFAOYSA-N
XLogP3.19
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 163761672
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CID 161224902
CID 161224902
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CID 10728874
2-propoxy-9H-thioxanthene 10-oxide
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3-methyl-6-propoxy-2,3-dihydroinden-1-one
CID 63820814
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magnesium;ethane;propoxybenzene;bromide
CID 175337245

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol?
The IUPAC name of 1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol (CID 70479782) is 1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol.
What is the SMILES notation for 1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol?
The canonical SMILES for 1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol is CCCOc1ccc2c(c1)C(c1ccccc1)=NC(O)C2.
What is the InChIKey of 1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol?
The InChIKey is ZSYFGXRVGOYIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-10-21-15-9-8-14-11-17(20)19-18(16(14)12-15)13-6-4-3-5-7-13/h3-9,12,17,20H,2,10-11H2,1H3.
What are the key properties of 1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol?
1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol has a molecular weight of 281.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-7-propoxy-3,4-dihydroisoquinolin-3-ol is sourced from PubChem (CID 70479782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).