Name: Name:5-(tert-Butyl)-[1,1'-biphenyl]-2-ol
Brand: Angene
SKU: AG00EA1M
Rating: 90 (10 reviews)

5-(tert-Butyl)-[1,1'-biphenyl]-2-ol

CAS No.:

577-92-4

Catalog Number:

AG00EA1M

Molecular Formula:

C16H18O

Molecular Weight:

226.3135

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1 week

United States

$87

- +

Product Description

Catalog Number:

AG00EA1M

Chemical Name:

5-(tert-Butyl)-[1,1'-biphenyl]-2-ol

CAS Number:

577-92-4

Molecular Formula:

C16H18O

Molecular Weight:

226.3135

MDL Number:

MFCD00020021

IUPAC Name:

4-tert-butyl-2-phenylphenol

InChI:

InChI=1S/C16H18O/c1-16(2,3)13-9-10-15(17)14(11-13)12-7-5-4-6-8-12/h4-11,17H,1-3H3

InChI Key:

IYPYKRAEQZVXSC-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1c1ccccc1)C(C)(C)C

EC Number:

209-419-5

UNII:

S7I79E8GJI

NSC Number:

15778

Properties

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.319g/mol

Monoisotopic Mass:

226.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8

Literature

Title	Journal
Discovery of novel SERCA inhibitors by virtual screening of a large compound library.	European journal of medicinal chemistry 20110501

Properties