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54589-41-2

54589-41-2

4-Benzyloxybenzophenone

Synonyms
  • 4-Benzyloxybenzophenone
  • 54589-41-2
  • phenyl-(4-phenylmethoxyphenyl)methanone
  • (4-(Benzyloxy)phenyl)(phenyl)methanone
  • 4-(Benzyloxy)benzophenone
Molecular Formula
C20H16O2

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description

Approx. quantity, purity, specifications, monthly order or one-off etc

Molecular Formula
C20H16O2
Iupac Name
phenyl-(4-phenylmethoxyphenyl)methanone
Canonical Smiles
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
StdInChi
InChI=1S/C20H16O2/c21-20(17-9-5-2-6-10-17)18-11-13-19(14-12-18)22-15-16-7-3-1-4-8-16/h1-14H,15H2
StdInChiKey
NMPNTBQOLRXPGK-UHFFFAOYSA-N
Appearance
Not Available
Molecular Weight
288.3
Exact Mass
288.115029749
Average Mass
288.340 Da
Monoisotopic Mass
288.115029749
Boiling Point
451.2±28.0 °C at 760 mmHg
Experimental Melting Point
82 °C
Flash Point
199.1±17.6 °C
Density
1.1±0.1 g/cm3
Vapour Pressure
0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization
71.0±3.0 kJ/mol
Refractive Index
1.608
Molar Refractivity
87.2±0.3 cm3
Polar Surface Area
26.3 Ų
Polarizability
34.6±0.5 10-24cm3
Surface Tension
45.7±3.0 dyne/cm
Molar Volume
252.3±3.0 cm3
Experimental Logp
2.965
Acd LogP
4.89
Acd LogD Ph55
4.51
Acd Bcf Ph55
1585.09
Acd Koc Ph55
6795.11
Acd LogD Ph74
4.51
Acd Bcf Ph74
1585.09
Acd Koc Ph74
6795.11
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Heavy Atom Count
22
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently Bonded Unit Count
1
H Bond Acceptors
2
H Bond Donors
0
Freely Rotating Bonds
5
Rule of 5 Violations
0
Formal Charge
0
Complexity
332
Compound is Canonicalized
Yes

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