2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol

C15H19NO2 — CID 170127037

IUPAC2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol
SMILESC=C(OC)C1N=Cc2cc(C)ccc2C1CCO
InChIInChI=1S/C15H19NO2/c1-10-4-5-13-12(8-10)9-16-15(11(2)18-3)14(13)6-7-17/h4-5,8-9,14-15,17H,2,6-7H2,1,3H3
InChIKeyUKRZNQLHGSNFPG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.42
Rot. Bonds4

About 2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol

2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol (PubChem CID 170127037) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol.

Molecular Properties

Compound Name2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol
PubChem CID170127037
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol
SMILESC=C(OC)C1N=Cc2cc(C)ccc2C1CCO
InChIInChI=1S/C15H19NO2/c1-10-4-5-13-12(8-10)9-16-15(11(2)18-3)14(13)6-7-17/h4-5,8-9,14-15,17H,2,6-7H2,1,3H3
InChIKeyUKRZNQLHGSNFPG-UHFFFAOYSA-N
XLogP2.42
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol?
The IUPAC name of 2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol (CID 170127037) is 2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol.
What is the SMILES notation for 2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol?
The canonical SMILES for 2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol is C=C(OC)C1N=Cc2cc(C)ccc2C1CCO.
What is the InChIKey of 2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol?
The InChIKey is UKRZNQLHGSNFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-4-5-13-12(8-10)9-16-15(11(2)18-3)14(13)6-7-17/h4-5,8-9,14-15,17H,2,6-7H2,1,3H3.
What are the key properties of 2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol?
2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol has a molecular weight of 245.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxyethenyl)-7-methyl-3,4-dihydroisoquinolin-4-yl]ethanol is sourced from PubChem (CID 170127037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).