Benzoin isopropyl ether

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Molecular Formula:

C17H18O2

Molecular Weight:

254.32

CAS Number:

6652-28-4

Catalog Number:

6652-28-4

Product Information

Molecular Formula:

C17H18O2

Molecular Weight:

254.32

Description

2-Isopropoxy-2-Phenylacetophenone is a natural compound, a derivative of benzoin.

Synonyms

2-Isopropoxy-1,2-diphenylethanone; 2-(1-Methylethoxy)-1,2-diphenylethan-1-one

IUPAC Name

1,2-diphenyl-2-propan-2-yloxyethanone

Canonical SMILES

CC(C)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18O2/c1-13(2)19-17(15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14/h3-13,17H,1-2H3

InChI Key

MSAHTMIQULFMRG-UHFFFAOYSA-N

Boiling Point

180 °C/10 mmHg

Melting Point

79 °C

Purity

98%

Density

1.065 g/cm3

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

3.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

254.130679813 g/mol

Monoisotopic Mass

254.130679813 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

273

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Benzoin isopropyl ether

Product Information

Computed Properties

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