4-Phenethoxybutan-1-ol

CAT: 0926-FGA52643-01Size: 5000 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FGA52643-01Size:5000 mg

Selected

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

Quick Request Actions

CAS Number

155526-43-5

MDL Number

MFCD29917886

Smiles

C1=CC=C (C=C1) CCOCCCCO

Molecular Formula

C12H18O2

Molecular Weight

194.27 g/mol

Controlled

Yes

Chemical Information

4-Phenethoxybutan-1-ol

CAS Number	155526-43-5
PubChem CID	19082188
IUPAC Name	4-(2-phenylethoxy)butan-1-ol
Molecular Formula	C12H18O2
Molecular Weight	194.27
XLogP	2.1
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	14
Formal Charge	0
Complexity	119

SMILES

C1=CC=C(C=C1)CCOCCCCO

InChI

InChI=1S/C12H18O2/c13-9-4-5-10-14-11-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2

InChIKey

SOLTWBQQYFMWSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 155526-43-5

CID: 19082188

Formula: C12H18O2

MW: 194.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.27
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	194.130679813
Monoisotopic Mass	194.130679813
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	119
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