CAS 23979-41-1|CAS 22204-53-1|(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid|(2S)-2-(6-Methoxynaphth-2-yl)propanoic acid|aleve|(S)-Naproxen|(R)-(-)-6-甲氧基-α-甲基-2-萘乙酸|(R)-(-)-6-Methoxy-α-me...

General Information

Structure

Molecular Formula

C₁₄H₁₄O₃

Molecular Mass

230.25916

Exact Mass

230.09429431

Charge

InChI

InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1

InChIKey

CMWTZPSULFXXJA-SECBINFHSA-N

Canonic Smiles

COc1ccc2c(c1)ccc(c2)[C@H](C(=O)O)C

Isomeric Smiles

COc1cc2ccc(cc2cc1)[C@H](C(=O)O)C

Calculated Properties

JChem

Acid pKa

4.1903534

H Acceptors

H Donor

LogD (pH = 5.5)

1.6579665

LogD (pH = 7.4)

-0.054211214

Log P

2.985786

Molar Refractivity

64.8535

Polarizability

26.3861

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(S)-Naproxen(2S)-2-(6-Methoxynaphth-2-yl)propanoic acid(R)-(-)-6-Methoxy-α-methyl-2-naphthaleneacetic acid(R)-(-)-6-甲氧基-α-甲基-2-萘乙酸(2R)-2-(6-Methoxynaphth-2-yl)propanoic acid(2R)-2-(6-Methoxynaphth-2-yl)propionic acid(R)-Naproxen2-[(1R)-1-Carboxyethyl]-6-methoxynaphthalene(R)-2-(6-Methoxynaphthalen-2-yl)propanoic Acid(R)-2-(6-Methoxynaphthalen-2-yl)propanoic acid(R)-6-Methoxy-α-methyl-2-naphthaleneacetic Acid(R)-Naproxen

IUPAC Traditional name

aleve

IUPAC name

(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid

Names and Identifiers

Registration numbers

MDL Number

MFCD00870716MFCD00063744

CAS Number

23979-41-122204-53-1

PubChem SID

24880597162042729