2-Benzyloxy-4-iodophenol

CAT: 0024-sc-503726Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-503726Size:500 mg

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CAS Number

289471-92-7

Chemical Information

2-(Benzyloxy)-4-iodophenol

CAS Number	289471-92-7
PubChem CID	15462916
IUPAC Name	4-iodo-2-phenylmethoxyphenol
Molecular Formula	C13H11IO2
Molecular Weight	326.13
XLogP	3.7
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	204

SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)I)O

InChI

InChI=1S/C13H11IO2/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2

InChIKey

SUUAJTJMEHPEDV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 289471-92-7

CID: 15462916

Formula: C13H11IO2

MW: 326.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.13
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	325.98038
Monoisotopic Mass	325.98038
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	204
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