2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol

C17H19NO2 — CID 71449931

IUPAC2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc(CCN2CCc3cc(O)ccc3C2)cc1
InChIInChI=1S/C17H19NO2/c19-16-4-1-13(2-5-16)7-9-18-10-8-14-11-17(20)6-3-15(14)12-18/h1-6,11,19-20H,7-10,12H2
InChIKeyPBQKQGNURXANPO-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.70
Rot. Bonds3

About 2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol

2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 71449931) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID71449931
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESOc1ccc(CCN2CCc3cc(O)ccc3C2)cc1
InChIInChI=1S/C17H19NO2/c19-16-4-1-13(2-5-16)7-9-18-10-8-14-11-17(20)6-3-15(14)12-18/h1-6,11,19-20H,7-10,12H2
InChIKeyPBQKQGNURXANPO-UHFFFAOYSA-N
XLogP2.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol (CID 71449931) is 2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol is Oc1ccc(CCN2CCc3cc(O)ccc3C2)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is PBQKQGNURXANPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16-4-1-13(2-5-16)7-9-18-10-8-14-11-17(20)6-3-15(14)12-18/h1-6,11,19-20H,7-10,12H2.
What are the key properties of 2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?
2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 269.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 71449931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).