4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol

C17H19NO2 — CID 83076109

IUPAC4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
SMILESCC(O)(c1ccc(O)cc1)C1CCc2ccccc2N1
InChIInChI=1S/C17H19NO2/c1-17(20,13-7-9-14(19)10-8-13)16-11-6-12-4-2-3-5-15(12)18-16/h2-5,7-10,16,18-20H,6,11H2,1H3
InChIKeyPBYFFOSYCHXXAV-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.03
Rot. Bonds2

About 4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol

4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol (PubChem CID 83076109) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
PubChem CID83076109
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
SMILESCC(O)(c1ccc(O)cc1)C1CCc2ccccc2N1
InChIInChI=1S/C17H19NO2/c1-17(20,13-7-9-14(19)10-8-13)16-11-6-12-4-2-3-5-15(12)18-16/h2-5,7-10,16,18-20H,6,11H2,1H3
InChIKeyPBYFFOSYCHXXAV-UHFFFAOYSA-N
XLogP3.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol?
The IUPAC name of 4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol (CID 83076109) is 4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol?
The canonical SMILES for 4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol is CC(O)(c1ccc(O)cc1)C1CCc2ccccc2N1.
What is the InChIKey of 4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol?
The InChIKey is PBYFFOSYCHXXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(20,13-7-9-14(19)10-8-13)16-11-6-12-4-2-3-5-15(12)18-16/h2-5,7-10,16,18-20H,6,11H2,1H3.
What are the key properties of 4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol?
4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol has a molecular weight of 269.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol is sourced from PubChem (CID 83076109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).