Name: Name:(E)-Phenethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate
Brand: Angene
SKU: AG000E2B
Rating: 90 (10 reviews)

(E)-Phenethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate

CAS No.:

117292-80-5

Catalog Number:

AG000E2B

Molecular Formula:

C18H18O4

Molecular Weight:

298.3331

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

95%

In Stock USA

United States

$408

- +

Product Description

Catalog Number:

AG000E2B

Chemical Name:

(E)-Phenethyl 3-(3-hydroxy-4-methoxyphenyl)acrylate

CAS Number:

117292-80-5

Molecular Formula:

C18H18O4

Molecular Weight:

298.3331

MDL Number:

MFCD28347679

IUPAC Name:

2-phenylethyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

InChI:

InChI=1S/C18H18O4/c1-21-17-9-7-15(13-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+

InChI Key:

LDEGDBUJVGNJEU-CSKARUKUSA-N

SMILES:

COc1ccc(cc1O)/C=C/C(=O)OCCc1ccccc1

NSC Number:

666256

Properties

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.338g/mol

Monoisotopic Mass:

298.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
Inhibitory effects of caffeic acid phenethyl ester derivatives on replication of hepatitis C virus.	PloS one 20130101
CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site.	Journal of medicinal chemistry 20020214
Hydroxylated aromatic inhibitors of HIV-1 integrase.	Journal of medicinal chemistry 19951013