CAS 13747-35-8 | Phenol, 2,2'-methylenebis[6-methyl- | CAS Number 13747-35-8

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 13747-35-8

13747-35-8 | Phenol, 2,2'-methylenebis[6-methyl-

CAS No: 13747-35-8 Catalog No: AG0013CF MDL No:

Product Description

Catalog Number:

AG0013CF

Chemical Name:

Phenol, 2,2'-methylenebis[6-methyl-

CAS Number:

13747-35-8

Molecular Formula:

C15H16O2

Molecular Weight:

228.2863

IUPAC Name:

2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol

InChI:

InChI=1S/C15H16O2/c1-10-5-3-7-12(14(10)16)9-13-8-4-6-11(2)15(13)17/h3-8,16-17H,9H2,1-2H3

InChI Key:

XACVRCGRFRDJTE-UHFFFAOYSA-N

SMILES:

Oc1c(cccc1C)Cc1cccc(c1O)C

NSC Number:

85476

Properties

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.291g/mol

Monoisotopic Mass:

228.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Discovery of novel SERCA inhibitors by virtual screening of a large compound library.	European journal of medicinal chemistry 20110501
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501