O4I1

CAT: 0926-FO137705-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FO137705-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

175135-47-4

MDL Number

MFCD00067778

Smiles

COC1=CC=C (C=C1) COC2=CC=C (C=C2) CC#N

Molecular Formula

C16H15NO2

Molecular Weight

253.3 g/mol

Controlled

Chemical Information

2-(4-((4-Methoxyphenyl)methoxy)phenyl)acetonitrile

enhances expression of both Oct3 and Oct4; structure in first source

CAS Number	175135-47-4
PubChem CID	2774690
IUPAC Name	2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile
Molecular Formula	C16H15NO2
Molecular Weight	253.29
XLogP	3
Topological Polar Surface Area	42.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	293

SMILES

COC1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H15NO2/c1-18-15-6-4-14(5-7-15)12-19-16-8-2-13(3-9-16)10-11-17/h2-9H,10,12H2,1H3

InChIKey

QJEJLARVLKHYFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 175135-47-4

CID: 2774690

Formula: C16H15NO2

MW: 253.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.29
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	253.110278721
Monoisotopic Mass	253.110278721
Topological Polar Surface Area	42.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FO137706-01	O4I2