Fenipentol

CAT: 0127-BUP15776-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15776-01Size:25 mg

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

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CAS Number

583-03-9

Synonyms

1-Phenyl-1-pentanol, 1-Phenylpentanol, Pancoral, 1-phenylpentan-1-ol

Purity

=98%

Smiles

CCCCC(O)c1ccccc1

Chemical Information

Fenipentol

Fenipentol is a member of benzenes.

CAS Number	583-03-9
PubChem CID	3338
IUPAC Name	1-phenylpentan-1-ol
Molecular Formula	C11H16O
Molecular Weight	164.24
XLogP	2.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	106

SMILES

CCCCC(C1=CC=CC=C1)O

InChI

InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3

InChIKey

OVGORFFCBUIFIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 583-03-9

CID: 3338

Formula: C11H16O

MW: 164.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.24
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	164.120115130
Monoisotopic Mass	164.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	106
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