4-Phenoxyphenol

C₁₂H₁₀O₂CAS 831-82-3186.21 g/mol

Open in Covalent MOL file

Ether Phenol

Properties

Molecular formula: C₁₂H₁₀O₂
Molar mass: 186.21 g/mol
Exact mass: 186.0681 Da
Melting point: 84 °C
Boiling point: 177–180 °C (at 9 Torr)
logP: 3.18Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed48.1% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction40.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.7% of notifiers

Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

831-82-3

SMILES

Oc1ccc(Oc2ccccc2)cc1

InChIKey

ZSBDGXGICLIJGD-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Phenol, 4-phenoxy-
Phenol, p-phenoxy-
p-Phenoxyphenol
p-Hydroxydiphenyl ether
4-Hydroxydiphenyl ether
Hydroquinone monophenyl ether
NSC 25027

Work with 4-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

4,4′-Dihydroxydiphenyl ether1965-09-979 % similar 1,4-Diphenoxybenzene3061-36-768 % similar 3-Phenoxyphenol713-68-864 % similar Diphenyl ether101-84-863 % similar 4-(4-Chlorophenoxy)phenol21567-18-060 % similar 4-Bromodiphenyl ether101-55-358 % similar Benzophenol108-95-255 % similar Biphenyl-diphenyl ether mixture8004-13-555 % 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 (1,1'-Biphenyl)-2,2'-diol1806-29-7 1,4-Benzenedicarboxaldehyd2065232-74-6 Methyl 2-naphthoate2459-25-8 6-Methoxy-2-naphthaldehyde3453-33-6 4-Methyl-1-naphthoic acid4488-40-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook