(4-Phenoxyphenyl)methanol
Properties
- Molecular formula
- C13H12O2
- Molar mass
- 200.24 g/mol
- Exact mass
- 200.0837 Da
- logP
- 2.97Crippen estimate
- Polar surface area
- 29.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
2215-78-3SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)COInChIKey
FEOMFFKZOZMBKD-UHFFFAOYSA-NInChI
InChI=1S/C13H12O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.31 (t, J = 7.7 Hz, 2H), 7.24 (d, J = 7.7 Hz, 2H), 7.13 (tt, J = 7.7, 1.6 Hz, 1H), 7.07 (dd, J = 7.7, 1.6 Hz, 2H), 7.00 (d, J = 7.7 Hz, 2H), 4.71 (s, 2H), 2.00 (br s, 1H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 157.5, 156.6, 135.5, 128.7, 127.2, 123.1, 119.0, 118.9, 65.5.[M + H]+
[M + H]+ Calcd for C13H13O2 201.0910[M + Na]+
[M + Na]+ Calcd for C13H12NaO2 223.0730[M − H]−
[M − H]− Calcd for C13H11O2 199.0765Elemental analysis
Anal. Calcd for C13H12O2: C, 77.98; H, 6.04.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (4-Phenoxyphenyl)methanol
Similar compounds
(4-(Benzyloxy)phenyl)methanol836-43-162 % similar
Benzyl alcohol100-51-661 % similar
1,4-Diphenoxybenzene3061-36-759 % similar
[1,1′-Biphenyl]-4-methanol3597-91-958 % similar
4-Phenoxybenzenemethanamine107622-80-057 % similar
Diphenyl ether101-84-855 % similar
1,4-Benzenedimethanol589-29-755 % similar
Anisyl alcohol105-13-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.