1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.

Phenylnaphthalenes

Organic compounds

Benzenoids

Naphthalenes

Phenylnaphthalenes

Calculated Property

kind Value Source
logP 4.35 ALOGPS
logS -4.6 ALOGPS
Water Solubility 6.30e-03 g/l ALOGPS
logP 4.61 ChemAxon
IUPAC Name 1-chloro-6-(4-hydroxyphenyl)naphthalen-2-ol ChemAxon
Traditional IUPAC Name 1-chloro-6-(4-hydroxyphenyl)naphthalen-2-ol ChemAxon
Molecular Weight 270.71 ChemAxon
Monoisotopic Weight 270.044757303 ChemAxon
SMILES OC1=CC=C(C=C1)C1=CC=C2C(C=CC(O)=C2Cl)=C1 ChemAxon
Molecular Formula C16H11ClO2 ChemAxon
InChI InChI=1S/C16H11ClO2/c17-16-14-7-3-11(9-12(14)4-8-15(16)19)10-1-5-13(18)6-2-10/h1-9,18-19H ChemAxon
InChIKey InChIKey=YHEHVRSGKUYDON-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 40.46 ChemAxon
Refractivity 76.41 ChemAxon
Polarizability 28.32 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 7.78 ChemAxon
pKa (strongest basic) -5.5 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 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