2- (3-cyclopentyl-4-fluorophenyl) propan-2-ol

CAT: 0127-PC1021251-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1021251-01Size:250 mg

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CAS Number

3037682-42-8

Purity

95%

Smiles

C1c (cc (c (c1) F) C1CCCC1) C (O) (C) C

Chemical Information

2-(3-Cyclopentyl-4-fluorophenyl)propan-2-ol

CAS Number	3037682-42-8
PubChem CID	177683524
IUPAC Name	2-(3-cyclopentyl-4-fluorophenyl)propan-2-ol
Molecular Formula	C14H19FO
Molecular Weight	222.30
XLogP	3.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	233

SMILES

CC(C)(C1=CC(=C(C=C1)F)C2CCCC2)O

InChI

InChI=1S/C14H19FO/c1-14(2,16)11-7-8-13(15)12(9-11)10-5-3-4-6-10/h7-10,16H,3-6H2,1-2H3

InChIKey

UJYUJVXFWITLIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3037682-42-8

CID: 177683524

Formula: C14H19FO

MW: 222.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.30
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	222.141993387
Monoisotopic Mass	222.141993387
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	233
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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