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130064-30-1 | Phenol, 4-[2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2H-1-benzopyran-3-yl]-
CAS No: 130064-30-1 Catalog No: AG000TZA MDL No:
Product Description
Catalog Number:
AG000TZA
Chemical Name:
Phenol, 4-[2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2H-1-benzopyran-3-yl]-
CAS Number:
130064-30-1
Molecular Formula:
C28H29NO3
Molecular Weight:
427.5348
IUPAC Name:
4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenol
InChI:
InChI=1S/C28H29NO3/c30-24-12-8-21(9-13-24)26-20-23-6-2-3-7-27(23)32-28(26)22-10-14-25(15-11-22)31-19-18-29-16-4-1-5-17-29/h2-3,6-15,20,28,30H,1,4-5,16-19H2
InChI Key:
FIYLLNDHLJCAAC-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=Cc2ccccc2OC1c1ccc(cc1)OCCN1CCCCC1
NSC Number:
610511
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.215g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.544g/mol
Monoisotopic Mass:
427.215g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Apoptosis induction and inhibition of hyperplasia formation by 2-[piperidinoethoxyphenyl]-3-[4-hydroxyphenyl]-2H-benzo(b)pyran in rat uterus. | American journal of obstetrics and gynecology 20111001 |
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