2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol

C17H17NO — CID 90980667

IUPAC2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol
SMILESOCCc1cccc(-c2ccc3c(c2)CCN=C3)c1
InChIInChI=1S/C17H17NO/c19-9-7-13-2-1-3-14(10-13)15-4-5-17-12-18-8-6-16(17)11-15/h1-5,10-12,19H,6-9H2
InChIKeyYEWPRWJTDCDXDV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.86
Rot. Bonds3

About 2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol

2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol (PubChem CID 90980667) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol
PubChem CID90980667
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol
SMILESOCCc1cccc(-c2ccc3c(c2)CCN=C3)c1
InChIInChI=1S/C17H17NO/c19-9-7-13-2-1-3-14(10-13)15-4-5-17-12-18-8-6-16(17)11-15/h1-5,10-12,19H,6-9H2
InChIKeyYEWPRWJTDCDXDV-UHFFFAOYSA-N
XLogP2.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol?
The IUPAC name of 2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol (CID 90980667) is 2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol?
The canonical SMILES for 2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol is OCCc1cccc(-c2ccc3c(c2)CCN=C3)c1.
What is the InChIKey of 2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol?
The InChIKey is YEWPRWJTDCDXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-9-7-13-2-1-3-14(10-13)15-4-5-17-12-18-8-6-16(17)11-15/h1-5,10-12,19H,6-9H2.
What are the key properties of 2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol?
2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydroisoquinolin-6-yl)phenyl]ethanol is sourced from PubChem (CID 90980667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).