Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.

Naphthols and derivatives

Organic compounds



Naphthols and derivatives

Calculated Property

kind Value Source
logP 3.87 ALOGPS
logS -3.5 ALOGPS
Water Solubility 8.21e-02 g/l ALOGPS
logP 3.73 ChemAxon
IUPAC Name 2-(5-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol ChemAxon
Traditional IUPAC Name 2-(5-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol ChemAxon
Molecular Weight 277.2741 ChemAxon
Monoisotopic Weight 277.073893223 ChemAxon
SMILES OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1 ChemAxon
Molecular Formula C17H11NO3 ChemAxon
InChI InChI=1S/C17H11NO3/c19-10-7-8-14-16(9-10)21-17(18-14)13-5-1-4-12-11(13)3-2-6-15(12)20/h1-9,19-20H ChemAxon
Polar Surface Area (PSA) 66.49 ChemAxon
Refractivity 88.24 ChemAxon
Polarizability 29.31 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 8.84 ChemAxon
pKa (strongest basic) 0.32 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Nuclear receptor coactivator 1 : in Human
  • Estrogen receptor beta : in Human