1-[4-(hydroxymethyl)phenyl]guanidine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.

Benzyl alcohols

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzyl alcohols

Calculated Property

kind Value Source
logP 0.3 ALOGPS
logS -2.3 ALOGPS
Water Solubility 8.58e-01 g/l ALOGPS
logP 0.18 ChemAxon
IUPAC Name 1-[4-(hydroxymethyl)phenyl]guanidine ChemAxon
Traditional IUPAC Name 1-[4-(hydroxymethyl)phenyl]guanidine ChemAxon
Molecular Weight 165.1924 ChemAxon
Monoisotopic Weight 165.090211989 ChemAxon
SMILES NC(=N)NC1=CC=C(CO)C=C1 ChemAxon
Molecular Formula C8H11N3O ChemAxon
InChI InChI=1S/C8H11N3O/c9-8(10)11-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2,(H4,9,10,11) ChemAxon
InChIKey InChIKey=JAFHTIHHRCEJDS-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 82.13 ChemAxon
Refractivity 59.01 ChemAxon
Polarizability 17.53 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 15.1 ChemAxon
pKa (strongest basic) 10.64 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Prostasin : in Human