1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde

2.1.2 InChI

InChI=1S/C23H21ClO5/c1-26-19-8-3-16(4-9-19)14-28-21-12-7-18(13-25)22(24)23(21)29-15-17-5-10-20(27-2)11-6-17/h3-13H,14-15H2,1-2H3

2.1.3 InChI Key

VWSVIHMZILESMM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)COC2=C(C(=C(C=C2)C=O)Cl)OCC3=CC=C(C=C3)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl12462730

2. Db-377042

3. 1884263-19-7

2.3 Create Date

2015-02-13

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₁ClO₅
Molecular Weight	412.9 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	54
Heavy Atom Count	29
Formal Charge	0
Complexity	474
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

CAS 1884263-19-7