1-[2- (3-Chlorophenyl) ethynyl]cyclohexanol

CAT: 0127-OR1083448-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1083448-01Size:250 mg

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CAS Number

1417462-53-3

MDL Number

MFCD22686223

Purity

95%

Smiles

C (#Cc1cc (Cl) ccc1) C1 (O) CCCCC1

Chemical Information

1-[2-(3-Chlorophenyl)ethynyl]cyclohexanol

CAS Number	1417462-53-3
PubChem CID	90909995
IUPAC Name	1-[2-(3-chlorophenyl)ethynyl]cyclohexan-1-ol
Molecular Formula	C14H15ClO
Molecular Weight	234.72
XLogP	3.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	292

SMILES

C1CCC(CC1)(C#CC2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C14H15ClO/c15-13-6-4-5-12(11-13)7-10-14(16)8-2-1-3-9-14/h4-6,11,16H,1-3,8-9H2

InChIKey

BGXAXSDNOKFLFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1417462-53-3

CID: 90909995

Formula: C14H15ClO

MW: 234.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.72
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	234.0811428
Monoisotopic Mass	234.0811428
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	292
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

Catalog	Name
OR1094216-01	1-[2- (4-Chlorophenyl) ethynyl]cyclohexanol
OR1086789-01	1- (3-chlorophenyl) cyclohexanol
OR1094962-01	1- (2-chlorophenyl) cyclohexanol
PC1011074-01	1-[2- (3-Fluorophenyl) ethynyl]cyclohexanol
OR1082402-01	1-[2- (3-Methylphenyl) ethynyl]cyclohexanol
OR1090291-01	1- (3-bromo-2-chlorophenyl) cyclohexanol
OR1094466-01	1-[ (2-methylphenyl) ethynyl]-Cyclohexanol
OR1085713-01	1-[2- (Trimethylsilyl) ethynyl]cyclohexanol
OR350158-01	1-Ethynyl-1-cyclohexanol
OR1082401-01	1-[2- (4-Bromophenyl) ethynyl]cyclohexanol

Catalog	Name
422443-01	3- (2-Chlorophenyl) -cyclohexanol
TRC-C379400-2.5G	2-(2-Chlorophenyl)-cyclohexanol
413128-01	2- (2-Chlorophenyl) -cyclohexanol
428588-01	4- (2-Chlorophenyl) -cyclohexanol
TRC-C379420-2.5G	4-(2-Chlorophenyl)-cyclohexanol
TRC-B682277-50MG	2-Bromo-2-(2-chlorophenyl)cyclohexanol-d4
MBS6104160-01	2-Hydroxy-2-(o-chlorophenyl-d4)cyclohexanol
014274	2-Hydroxy-2- (o-chlorophenyl-d4) cyclohexanol
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