4-Chloro-2-cyclohexylphenol

CAT: 0926-NAA08117-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-NAA08117-01Size:0.25 g

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CAS Number

13081-17-9

MDL Number

MFCD00019337

Smiles

CC (C) [C@@H] (C (=O) N[C@@H] (CC1=CC=CC=C1) C ([C@H] (CC2=CC=CC=C2) NC (=O) [C@H] (C (C) C) NC (=O) OCC3=CC=CC=C3) O) NC (=O) OCC4=CC=CC=C4

Molecular Formula

C12H15ClO

Molecular Weight

210.7 g/mol

Controlled

Chemical Information

4-Chloro-2-cyclohexylphenol

CAS Number	13081-17-9
PubChem CID	83120
IUPAC Name	4-chloro-2-cyclohexylphenol
Molecular Formula	C12H15ClO
Molecular Weight	210.70
XLogP	4.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	177

SMILES

C1CCC(CC1)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C12H15ClO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5H2

InChIKey

XRUHXAQEOJDPEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13081-17-9

CID: 83120

Formula: C12H15ClO

MW: 210.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.70
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	210.0811428
Monoisotopic Mass	210.0811428
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177
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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