Name: Name:(2E)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Brand: Angene
SKU: AG00JUJL
Rating: 90 (10 reviews)

(2E)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one

CAS No.:

53744-30-2

Catalog Number:

AG00JUJL

Molecular Formula:

C17H15ClO3

Molecular Weight:

302.7522

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

98%

1 week

United States

$107

- +

Product Description

Catalog Number:

AG00JUJL

Chemical Name:

(2E)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one

CAS Number:

53744-30-2

Molecular Formula:

C17H15ClO3

Molecular Weight:

302.7522

MDL Number:

MFCD00170624

IUPAC Name:

(E)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one

InChI:

InChI=1S/C17H15ClO3/c1-20-16-10-6-13(11-17(16)21-2)15(19)9-5-12-3-7-14(18)8-4-12/h3-11H,1-2H3/b9-5+

InChI Key:

VJAYGIKWBKGYJF-WEVVVXLNSA-N

SMILES:

COc1cc(ccc1OC)C(=O)/C=C/c1ccc(cc1)Cl

Properties

Complexity:

361

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.754g/mol

Monoisotopic Mass:

302.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3

Literature

Title	Journal
Investigation of chalcones and benzochalcones as inhibitors of breast cancer resistance protein.	Bioorganic & medicinal chemistry 20120101