2- (4-Octylphenyl) ethanol

CAT: 0127-OR90157-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR90157-01Size:250 mg

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CAS Number

162358-05-6

MDL Number

MFCD09753531

Purity

95%

Smiles

CCCCCCCCC1=CC=C(CCO)C=C1

Chemical Information

2-(4-Octylphenyl)ethanol

CAS Number	162358-05-6
PubChem CID	11310876
IUPAC Name	2-(4-octylphenyl)ethanol
Molecular Formula	C16H26O
Molecular Weight	234.38
XLogP	5.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Heavy Atom Count	17
Formal Charge	0
Complexity	159

SMILES

CCCCCCCCC1=CC=C(C=C1)CCO

InChI

InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17/h9-12,17H,2-8,13-14H2,1H3

InChIKey

BUVAWTAMOZOVNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 162358-05-6

CID: 11310876

Formula: C16H26O

MW: 234.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.38
XLogP3	5.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Exact Mass	234.198365449
Monoisotopic Mass	234.198365449
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	159
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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