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Phloroglucin Tribenzyl Ether

CAT: 0572-TRC-P340020-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P340020-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59434-20-7
Synonyms
1,3,5-Tris(phenylmethoxy)benzene; 1,3,5-Tribenzyloxybenzene; 1,3,5-Tris(benzyloxy)benzene; Tribenzyl Phloroglucinol;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
C(Oc1cc(OCc2ccccc2)cc(OCc3ccccc3)c1)c4ccccc4
Molecular Formula
C27H24O3
Molecular Weight
396.48
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzene, 1,3,5-tris(phenylmethoxy)-
CAS Number59434-20-7
PubChem CID10916273
IUPAC Name1,3,5-tris(phenylmethoxy)benzene
Molecular FormulaC27H24O3
Molecular Weight396.5
XLogP6.3
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity370
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C27H24O3/c1-4-10-22(11-5-1)19-28-25-16-26(29-20-23-12-6-2-7-13-23)18-27(17-25)30-21-24-14-8-3-9-15-24/h1-18H,19-21H2
InChIKey
UMHMEKANHYREIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, 1,3,5-tris(phenylmethoxy)-
CAS: 59434-20-7
CID: 10916273
Formula: C27H24O3
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass396.17254462
Monoisotopic Mass396.17254462
Topological Polar Surface Area27.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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