2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol

C18H19NO — CID 20500933

IUPAC2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CCO)C2
InChIInChI=1S/C18H19NO/c1-13-7-8-15-12-16(9-10-20)19-18(17(15)11-13)14-5-3-2-4-6-14/h2-8,11,16,20H,9-10,12H2,1H3
InChIKeyHMNAKXZUEJDSSG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.14
Rot. Bonds3

About 2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol

2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol (PubChem CID 20500933) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
PubChem CID20500933
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CCO)C2
InChIInChI=1S/C18H19NO/c1-13-7-8-15-12-16(9-10-20)19-18(17(15)11-13)14-5-3-2-4-6-14/h2-8,11,16,20H,9-10,12H2,1H3
InChIKeyHMNAKXZUEJDSSG-UHFFFAOYSA-N
XLogP3.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol?
The IUPAC name of 2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol (CID 20500933) is 2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol.
What is the SMILES notation for 2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol?
The canonical SMILES for 2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol is Cc1ccc2c(c1)C(c1ccccc1)=NC(CCO)C2.
What is the InChIKey of 2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol?
The InChIKey is HMNAKXZUEJDSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-7-8-15-12-16(9-10-20)19-18(17(15)11-13)14-5-3-2-4-6-14/h2-8,11,16,20H,9-10,12H2,1H3.
What are the key properties of 2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol?
2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol has a molecular weight of 265.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol is sourced from PubChem (CID 20500933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).