chempirical

3-Phenoxyphenol

C12H10O2CAS 713-68-8186.21 g/mol

Open in Covalent MOL file
OHO
EtherPhenol

Properties

Molecular formula
C12H10O2
Molar mass
186.21 g/mol
Exact mass
186.0681 Da
Melting point
105 °C
Boiling point
143–146 °C (at 2 Torr)
logP
3.18Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
713-68-8
SMILES
Oc1cccc(Oc2ccccc2)c1
InChIKey
HBUCPZGYBSEEHF-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H

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Names and synonyms

5 names
  • Phenol, 3-phenoxy-
  • Phenol, m-phenoxy-
  • m-Phenoxyphenol
  • 3-Hydroxydiphenyl ether
  • NSC 57079

Work with 3-Phenoxyphenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diphenoxybenzene3379-38-265 % similar 4-Phenoxyphenol831-82-364 % similar 3-Methoxyphenol150-19-657 % similar Diphenyl ether101-84-855 % similar 3-Phenoxytoluene3586-14-954 % similar 3-Hydroxyphenyl benzoate136-36-753 % similar Resorcinol108-46-352 % similar 1,4-Diphenoxybenzene3061-36-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenylhydroquinone1079-21-6 2-Naphthyl acetate1523-11-1 4-Methoxy-1-naphthaldehyde15971-29-6 2,2'-Biphenol1806-29-7 Methyl 2-naphthoate2459-25-8 6-Methoxy-2-naphthaldehyde3453-33-6 2-Methoxy-1-naphthaldehyde5392-12-1 2-Naphthaleneacetic acid581-96-4

Elsewhere

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