CAS 100-27-6|2-(4-nitrophenyl)ethan-1-ol|2-(P-nitrophenyl)ethanol|p-NITROPHENETHYL ALCOHOL|2-(4-Nitrophenyl)ethan-1-ol|4-Nitrophenethyl alcohol|4-(2-Hydroxyethyl)nitrobenzene|2-(4-硝基苯基)乙醇|4-Ni...

General Information

Structure

Molecular Formula

C₈H₉NO₃

Molecular Mass

167.16196

Exact Mass

167.05824315

Charge

InChI

InChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2

InChIKey

IKMXRUOZUUKSON-UHFFFAOYSA-N

Canonic Smiles

OCCc1ccc(cc1)[N+](=O)[O-]

Isomeric Smiles

[N+](=O)(c1ccc(cc1)CCO)[O-]

Calculated Properties

JChem

Acid pKa

15.786697

H Acceptors

H Donor

LogD (pH = 5.5)

1.4345415

LogD (pH = 7.4)

1.4345415

Log P

1.4345415

Molar Refractivity

43.9494

Polarizability

16.447674

Polar Surface Area

63.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-(4-nitrophenyl)ethan-1-ol

IUPAC Traditional name

2-(P-nitrophenyl)ethanol

Synonyms

p-NITROPHENETHYL ALCOHOL2-(4-Nitrophenyl)ethan-1-ol4-Nitrophenethyl alcohol4-(2-Hydroxyethyl)nitrobenzene2-(4-硝基苯基)乙醇4-Nitrophenethyl alcohol2-(4-Nitrophenyl)ethanol4-硝基苯乙醇2-(4-nitrophenyl)ethanol2-(4-Nitrophenyl)ethanol4-Nitrophenethyl alcohol

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

EC Number