CAS 91-44-1|7-(Diethylamino)-4-methyl-2H-chromen-2-one|7-(Diethylamino)-4-methylcoumarin|Coumarin 1|7-(Diethylamino)-4-methyl-2-oxo-2H-chromene|coumarin 1|7-(diethylamino)-4-methyl-2H-chromen-2-one|...

General Information

Structure

Molecular Formula

C₁₄H₁₇NO₂

Molecular Mass

231.29028

Exact Mass

231.12592879

Charge

InChI

InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3

InChIKey

AFYCEAFSNDLKSX-UHFFFAOYSA-N

Canonic Smiles

CCN(c1ccc2c(c1)oc(=O)cc2C)CC

Isomeric Smiles

o1c2cc(ccc2c(cc1=O)C)N(CC)CC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.8791573

LogD (pH = 7.4)

2.9040866

Log P

2.904414

Molar Refractivity

69.7564

Polarizability

26.042484

Polar Surface Area

29.54

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

7-(Diethylamino)-4-methyl-2H-chromen-2-one7-(Diethylamino)-4-methylcoumarinCoumarin 17-(Diethylamino)-4-methyl-2-oxo-2H-chromene4-METHYL-7-DIETHYLAMINOCOUMARIN7-(diethylamino)-4-methyl-2H-chromen-2-one7-二乙氨基-4-甲基香豆素香豆素 17-Diethylamino-4-methylcoumarinCOUMARIN 14-Methyl-7-diethylaminocoumarin7-二乙基氨基-4-甲基香豆素

IUPAC name

7-(diethylamino)-4-methyl-2H-chromen-2-one

IUPAC Traditional name

coumarin 1

Names and Identifiers

Registration numbers

EC Number

202-068-9

MDL Number

MFCD00006864

Beilstein Number

193303