1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene

C14H16 — CID 130055881

IUPAC1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C#CC2CC2)cc1
InChIInChI=1S/C14H16/c1-11(2)14-9-7-13(8-10-14)6-5-12-3-4-12/h7-12H,3-4H2,1-2H3
InChIKeyOQZOGSQYECNQIG-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.57
Rot. Bonds1

About 1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene

1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene (PubChem CID 130055881) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene
PubChem CID130055881
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C#CC2CC2)cc1
InChIInChI=1S/C14H16/c1-11(2)14-9-7-13(8-10-14)6-5-12-3-4-12/h7-12H,3-4H2,1-2H3
InChIKeyOQZOGSQYECNQIG-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.57
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

1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene
CID 161210191
1-[2-(4,4-difluorocyclohexyl)ethynyl]-4-methylbenzene
CID 162402015
2,3-dimethylbutane;ethane;1-propan-2-yl-4-prop-1-ynylbenzene
CID 144704481
trimethyl-[2-(4-propan-2-ylphenyl)ethynyl]silane
CID 23390603
1,4-bis[2-(4-pentylcyclohexyl)ethynyl]benzene
CID 19983762
N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine
CID 114497839
2-phenylethynylcyclooctane
CID 71426639
1-(2-cyclohexa-1,5-dien-1-ylethynyl)-4-propan-2-ylbenzene
CID 142112192
1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol
CID 45276566
3-[4-(2-cyclopropylethynyl)phenyl]-5-methyl-4,5-dihydro-1,2-oxazole
CID 134591223
1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene
CID 161210190
1-cyclopropyl-3-methyl-4-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]butan-1-one
CID 146835763

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene (CID 130055881) is 1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene is CC(C)c1ccc(C#CC2CC2)cc1.
What is the InChIKey of 1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene?
The InChIKey is OQZOGSQYECNQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11(2)14-9-7-13(8-10-14)6-5-12-3-4-12/h7-12H,3-4H2,1-2H3.
What are the key properties of 1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene?
1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene has a molecular weight of 184.28 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 130055881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).