3-Phenoxybenzyl alcohol

CAT: 0926-FP71261-01Size: 0.05 kgDry Ice: NoHazardous: No

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CAT#:0926-FP71261-01Size:0.05 kg

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CAS Number

13826-35-2

Synonyms

(3-Phenoxyphenyl) methanol

MDL Number

MFCD00004636

Smiles

C1=CC=C (C=C1) OC2=CC=CC (=C2) CO

Molecular Formula

C13H12O2

Molecular Weight

200.23 g/mol

Controlled

Chemical Information

3-Phenoxybenzyl alcohol

(3-phenoxyphenyl)methanol is a member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin. It has a role as a marine xenobiotic metabolite. It is a member of benzyl alcohols and an aromatic ether.

CAS Number	13826-35-2
PubChem CID	26295
IUPAC Name	(3-phenoxyphenyl)methanol
Molecular Formula	C13H12O2
Molecular Weight	200.23
XLogP	2.5
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	175

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CO

InChI

InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2

InChIKey

KGANAERDZBAECK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13826-35-2

CID: 26295

Formula: C13H12O2

MW: 200.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	200.23
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	200.083729621
Monoisotopic Mass	200.083729621
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	175
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

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426592-01	3-Phenoxybenzyl Alcohol
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3-Phenoxybenzyl alcohol

Chemical Information

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