4-Ethoxyphenylethyl alcohol

CAT: 0926-FE70289-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FE70289-01Size:5 g

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CAS Number

22545-15-9

Synonyms

2- (4'-Ethoxyphenyl) ethanol

MDL Number

MFCD00016570

Smiles

CCOC1=CC=C (C=C1) CCO

Molecular Formula

C10H14O2

Molecular Weight

166.22 g/mol

Controlled

Chemical Information

2-(4-Ethoxyphenyl)ethanol

CAS Number	22545-15-9
PubChem CID	89752
IUPAC Name	2-(4-ethoxyphenyl)ethanol
Molecular Formula	C10H14O2
Molecular Weight	166.22
XLogP	1.1
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	106

SMILES

CCOC1=CC=C(C=C1)CCO

InChI

InChI=1S/C10H14O2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6,11H,2,7-8H2,1H3

InChIKey

CNMVSNTVPZWQMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22545-15-9

CID: 89752

Formula: C10H14O2

MW: 166.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.22
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	166.099379685
Monoisotopic Mass	166.099379685
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	106
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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