2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol

C20H21NO3 — CID 169412939

IUPAC2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol
SMILESCc1cc(-c2ccccc2OCCO)nc2c(CCO)cccc12
InChIInChI=1S/C20H21NO3/c1-14-13-18(17-6-2-3-8-19(17)24-12-11-23)21-20-15(9-10-22)5-4-7-16(14)20/h2-8,13,22-23H,9-12H2,1H3
InChIKeySPTIJTBXONBTAR-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.12
Rot. Bonds6

About 2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol

2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol (PubChem CID 169412939) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol
PubChem CID169412939
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol
SMILESCc1cc(-c2ccccc2OCCO)nc2c(CCO)cccc12
InChIInChI=1S/C20H21NO3/c1-14-13-18(17-6-2-3-8-19(17)24-12-11-23)21-20-15(9-10-22)5-4-7-16(14)20/h2-8,13,22-23H,9-12H2,1H3
InChIKeySPTIJTBXONBTAR-UHFFFAOYSA-N
XLogP3.12
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol (CID 169412939) is 2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol is Cc1cc(-c2ccccc2OCCO)nc2c(CCO)cccc12.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol?
The InChIKey is SPTIJTBXONBTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-13-18(17-6-2-3-8-19(17)24-12-11-23)21-20-15(9-10-22)5-4-7-16(14)20/h2-8,13,22-23H,9-12H2,1H3.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol?
2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol has a molecular weight of 323.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)phenyl]-4-methylquinolin-8-yl]ethanol is sourced from PubChem (CID 169412939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).