CAS 589-29-7|[4-(hydroxymethyl)phenyl]methanol|1,4-benzenedimethanol|1,4-DI-(HYDROXYMETHYL) BENZENE|1,4-苯二甲醇|p-Xylylene dialcohol|对苯二甲醇|p-Xylene-α,α′-diol|p-Phenylene dicarbinol|1,4-Benz...

General Information

Structure

Molecular Formula

C₈H₁₀O₂

Molecular Mass

138.1638

Exact Mass

138.06807956

Charge

InChI

InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2

InChIKey

BWVAOONFBYYRHY-UHFFFAOYSA-N

Canonic Smiles

OCc1ccc(cc1)CO

Isomeric Smiles

OCc1ccc(CO)cc1

Calculated Properties

JChem

Acid pKa

14.699594

H Acceptors

H Donor

LogD (pH = 5.5)

0.43854627

LogD (pH = 7.4)

0.43854627

Log P

0.43854627

Molar Refractivity

39.6898

Polarizability

15.2356415

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

[4-(hydroxymethyl)phenyl]methanol

IUPAC Traditional name

1,4-benzenedimethanol

Synonyms

1,4-DI-(HYDROXYMETHYL) BENZENE1,4-苯二甲醇p-Xylylene dialcohol对苯二甲醇p-Phenylene dicarbinol1,4-Benzenedimethanolp-Xylene-α,α′-diol对二甲苯-α,α′-二醇1,4-Dimethylolbenzene1,4-Bis(hydroxymethyl)benzene4-(Hydroxymethyl)benzyl Alcoholp-(Hydroxymethyl)benzyl Alcoholp-Xylylene-α,α'-diolα,α'-Dihydroxy-p-xylene4-(Hydroxymethyl)benzenemethanolNSC 5097p-XylylenediolTerephthalyl Alcohol1,4-Benzenedimethanolα,α'-p-Xylenediol1,4-Di(hydroxymethyl)benzene1,4-Benzenedimethanol1,4-Xylylene Glycolp-Xylene-alpha,alpha'-diol

Names and Identifiers

Registration numbers

CAS Number

EC Number

Beilstein Number

MDL Number

PubChem SID

2489167716209451724847533