methyl 4-[4-(morpholin-4-ylmethyl)phenyl]benzoate|4-(Methoxycarbonyl)-4'-[(morpholin-4-yl)methyl]biphenyl|Methyl 4'-[(morpholin-4-yl)methyl]-[1,1'-biphenyl]-4-carboxylate|methyl 4-[4-(morpholin-4-yl...

General Information

Structure

Molecular Formula

C₁₉H₂₁NO₃

Molecular Mass

311.37494

Exact Mass

311.15214354

Charge

InChI

InChI=1S/C19H21NO3/c1-22-19(21)18-8-6-17(7-9-18)16-4-2-15(3-5-16)14-20-10-12-23-13-11-20/h2-9H,10-14H2,1H3

InChIKey

STJYUDXIDUXZKM-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccc(cc1)c1ccc(cc1)CN1CCOCC1

Isomeric Smiles

O(C(=O)c1ccc(cc1)c1ccc(cc1)CN1CCOCC1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.5839874

LogD (pH = 7.4)

3.1089094

Log P

3.3468444

Molar Refractivity

90.8367

Polarizability

36.41353

Polar Surface Area

38.77

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

methyl 4-[4-(morpholin-4-ylmethyl)phenyl]benzoate

Synonyms

Methyl 4'-[(morpholin-4-yl)methyl]-[1,1'-biphenyl]-4-carboxylate4-(Methoxycarbonyl)-4'-[(morpholin-4-yl)methyl]biphenyl4-{[4'-(Methoxycarbonyl)biphenyl-4-yl]methyl}morpholine4'-(4-Morpholinylmethyl)biphenyl-4-carboxylic acid methyl ester4'-(4-吗啉基甲基)联苯-4-羧酸甲酯Methyl 4'-(4-morpholinylmethyl)biphenyl-4-carboxylate

IUPAC Traditional name

methyl 4-[4-(morpholin-4-ylmethyl)phenyl]benzoate

Names and Identifiers

Registration numbers

PubChem CID

71300069

PubChem SID

162104717

MDL Number

MFCD16294540

Registration numbers

Properties