chempirical

4-(4-Chlorophenoxy)phenol

C12H9ClO2CAS 21567-18-0220.65 g/mol

Open in Covalent MOL file
HOOCl
Aryl halideEtherPhenol

Properties

Molecular formula
C12H9ClO2
Molar mass
220.65 g/mol
Exact mass
220.0291 Da
logP
3.84Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
21567-18-0
SMILES
C1=CC(=CC=C1O)OC2=CC=C(C=C2)Cl
InChIKey
XQMRZWSYBUCVAX-UHFFFAOYSA-N
InChI
InChI=1S/C12H9ClO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H

Weigh it out

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Work with 4-(4-Chlorophenoxy)phenol

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-Chlorophenol106-48-971 % similar 4,4′-Dihydroxydiphenyl ether1965-09-971 % similar Chlorophenoxybenzene55398-86-260 % similar 4-Chlorophenyl phenyl ether7005-72-360 % similar 4-Phenoxyphenol831-82-360 % similar 4-(4-Chlorophenoxy)benzenamine101-79-156 % similar 3,4′-Dichlorodiphenyl ether6842-62-254 % similar 4-Chloro-4′-hydroxybenzophenone42019-78-350 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook