2-Phenyloct-3-yn-2-ol

CAT: 0127-OR1033114-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1033114-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

18215-71-9

Purity

98%

Smiles

OC(C#CCCCC)(C=1C=CC=CC1)C

Chemical Information

2-Phenyloct-3-YN-2-OL

CAS Number	18215-71-9
PubChem CID	12623487
IUPAC Name	2-phenyloct-3-yn-2-ol
Molecular Formula	C14H18O
Molecular Weight	202.29
XLogP	3.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	239

SMILES

CCCCC#CC(C)(C1=CC=CC=C1)O

InChI

InChI=1S/C14H18O/c1-3-4-5-9-12-14(2,15)13-10-7-6-8-11-13/h6-8,10-11,15H,3-5H2,1-2H3

InChIKey

RKSKOZHVFGMBAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18215-71-9

CID: 12623487

Formula: C14H18O

MW: 202.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.29
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	202.135765193
Monoisotopic Mass	202.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes