1-(2-cyclohexylethynyl)-2-methylbenzene

C15H18 — CID 154717619

IUPAC1-(2-cyclohexylethynyl)-2-methylbenzene
SMILESCc1ccccc1C#CC1CCCCC1
InChIInChI=1S/C15H18/c1-13-7-5-6-10-15(13)12-11-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9H2,1H3
InChIKeyOKQACRKRLFAXHB-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.93
Rot. Bonds

About 1-(2-cyclohexylethynyl)-2-methylbenzene

1-(2-cyclohexylethynyl)-2-methylbenzene (PubChem CID 154717619) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-cyclohexylethynyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-cyclohexylethynyl)-2-methylbenzene
PubChem CID154717619
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-(2-cyclohexylethynyl)-2-methylbenzene
SMILESCc1ccccc1C#CC1CCCCC1
InChIInChI=1S/C15H18/c1-13-7-5-6-10-15(13)12-11-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9H2,1H3
InChIKeyOKQACRKRLFAXHB-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclohexylethynyl)phenol
CID 57038623
methyl 2-(2-cyclohexylethynyl)benzoate
CID 50900175
3-(2-cyclopentylethynyl)-4-methylpyridine;ethane
CID 178009109
2-phenylethynylcyclooctane
CID 71426639
[2-(2-cyclohexylethynyl)phenyl] acetate
CID 57017537
1-(2-cyclohexylethynyl)-2-[(E)-2-nitroethenyl]benzene
CID 165354043
1-(2-cyclopropylethynyl)-2-ethylbenzene
CID 130055738
N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide
CID 11290358
2-[2-(2-methylphenyl)ethynyl]oxolane-3,4-diol
CID 142674424
1-cyclohexyl-2-(2-cyclohexylethynyl)pyrrole
CID 175159685
methyl 4-(2-cyclohexylethynyl)-1-benzothiophene-2-carboxylate
CID 19007686
3-(2-cyclohexylethynyl)benzoic acid
CID 140982933

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethynyl)-2-methylbenzene?
The IUPAC name of 1-(2-cyclohexylethynyl)-2-methylbenzene (CID 154717619) is 1-(2-cyclohexylethynyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-cyclohexylethynyl)-2-methylbenzene?
The canonical SMILES for 1-(2-cyclohexylethynyl)-2-methylbenzene is Cc1ccccc1C#CC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethynyl)-2-methylbenzene?
The InChIKey is OKQACRKRLFAXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-13-7-5-6-10-15(13)12-11-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9H2,1H3.
What are the key properties of 1-(2-cyclohexylethynyl)-2-methylbenzene?
1-(2-cyclohexylethynyl)-2-methylbenzene has a molecular weight of 198.31 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethynyl)-2-methylbenzene is sourced from PubChem (CID 154717619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).