CAS 53817-44-0|2-(2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-ol|2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanol|2-(2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-...

General Information

Structure

Molecular Formula

C₁₅H₂₃NO

Molecular Mass

233.34922

Exact Mass

233.17796436

Charge

InChI

InChI=1S/C15H23NO/c1-11-5-6-13-12(2)10-15(3,4)16(7-8-17)14(13)9-11/h5-6,9,12,17H,7-8,10H2,1-4H3

InChIKey

DICAWUKDDRKZDZ-UHFFFAOYSA-N

Canonic Smiles

OCCN1c2cc(C)ccc2C(CC1(C)C)C

Isomeric Smiles

N1(c2c(ccc(c2)C)C(C)CC1(C)C)CCO

Calculated Properties

JChem

Acid pKa

15.578077

H Acceptors

H Donor

LogD (pH = 5.5)

3.3694425

LogD (pH = 7.4)

3.373189

Log P

3.373237

Molar Refractivity

73.3363

Polarizability

27.790346

Polar Surface Area

23.47

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-(2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-ol1-(2-Hydroxyethyl)-2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinoline1-(2-Hydroxyethyl)-1,2,3,4-tetrahydro-2,2,4,7-tetramethylquinoline1,2,3,4-四氢-2,2,4,7-四甲基-1-喹啉乙醇1-(2-羟基乙基)-1,2,3,4-四氢-2,2,4,7-四甲基喹啉1,2,3,4-Tetrahydro-2,2,4,7-tetramethyl-1-quinolineethanol

IUPAC Traditional name

2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanol

IUPAC name

2-(2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-ol

Names and Identifiers

Registration numbers

MDL Number

MFCD00155229

CAS Number

53817-44-0

PubChem CID

103845