Name: Name:Cyclohexanol, 1-(2-phenylethynyl)-
Brand: Angene
SKU: AG002D71
Rating: 90 (10 reviews)

Cyclohexanol, 1-(2-phenylethynyl)-

CAS No.:

20109-09-5

Catalog Number:

AG002D71

Molecular Formula:

C14H16O

Molecular Weight:

200.2762

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Product Description

Catalog Number:

AG002D71

Chemical Name:

Cyclohexanol, 1-(2-phenylethynyl)-

CAS Number:

20109-09-5

Molecular Formula:

C14H16O

Molecular Weight:

200.2762

MDL Number:

MFCD00060883

IUPAC Name:

1-(2-phenylethynyl)cyclohexan-1-ol

InChI:

InChI=1S/C14H16O/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,10-11H2

InChI Key:

LBEMYSKBSYEVAG-UHFFFAOYSA-N

SMILES:

OC1(CCCCC1)C#Cc1ccccc1

Properties

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.281g/mol

Monoisotopic Mass:

200.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties