CAS 192376-76-4|4′-羟基联苯-3-羧酸甲酯|methyl 3-(4-hydroxyphenyl)benzoate|Methyl 4′-hydroxy-[1,1′-biphenyl]-3-carboxylate|methyl 3-(4-hydroxyphenyl)benzoate|Methyl 3-(4-hydroxyphenyl)benzoate|3-(...

General Information

Structure

Molecular Formula

C₁₄H₁₂O₃

Molecular Mass

228.24328

Exact Mass

228.07864424

Charge

InChI

InChI=1S/C14H12O3/c1-17-14(16)12-4-2-3-11(9-12)10-5-7-13(15)8-6-10/h2-9,15H,1H3

InChIKey

ZWSVMMHYHQNTKA-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1cccc(c1)c1ccc(cc1)O

Isomeric Smiles

O(C(=O)c1cc(ccc1)c1ccc(cc1)O)C

Calculated Properties

JChem

Acid pKa

9.856352

H Acceptors

H Donor

LogD (pH = 5.5)

3.3203638

LogD (pH = 7.4)

3.3188758

Log P

3.3203828

Molar Refractivity

65.2004

Polarizability

26.311283

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

methyl 3-(4-hydroxyphenyl)benzoate

Synonyms

3-(4-羟苯基)苯甲酸甲酯Methyl 3-(4-hydroxyphenyl)benzoate4′-羟基联苯-3-羧酸甲酯Methyl 4′-hydroxy-[1,1′-biphenyl]-3-carboxylate4-[3-(Methoxycarbonyl)phenyl]phenolMethyl 3-(4-hydroxyphenyl)benzoateMethyl 4'-hydroxy-[1,1'-biphenyl]-3-carboxylate4'-Hydroxy-3-(methoxycarbonyl)biphenyl4'-Hydroxybiphenyl-3-carboxylic acid methyl esterMethyl 4'-hydroxybiphenyl-3-carboxylate4'-羟基联苯-3-羧酸甲酯

IUPAC name

methyl 3-(4-hydroxyphenyl)benzoate

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID