1-ethynyl-4-(2-phenylethenyl)benzene

C16H12 — CID 71360336

IUPAC1-ethynyl-4-(2-phenylethenyl)benzene
SMILESC#Cc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C16H12/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h1,3-13H
InChIKeyCZTGWVKPRYCZIG-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.84
Rot. Bonds2

About 1-ethynyl-4-(2-phenylethenyl)benzene

1-ethynyl-4-(2-phenylethenyl)benzene (PubChem CID 71360336) has the molecular formula C16H12 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-ethynyl-4-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-ethynyl-4-(2-phenylethenyl)benzene
PubChem CID71360336
Molecular FormulaC16H12
Molecular Weight204.27 g/mol
Exact Mass204.09
IUPAC Name1-ethynyl-4-(2-phenylethenyl)benzene
SMILESC#Cc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C16H12/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h1,3-13H
InChIKeyCZTGWVKPRYCZIG-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1,2-13C2)ethynylbenzene
CID 71309164
1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene
CID 5379616
ethynylbenzene fluoride
CID 139243604
cobalt;ethynylbenzene
CID 174831642
1,4-diethynyl-2,5-bis(2-phenylethenyl)benzene
CID 172908032
CID 70569152
CID 70569152
CID 70567885
CID 70567885
1-ethynyl-2-[(E)-2-phenylethenyl]benzene
CID 12890898
ethynylbenzene;molecular nitrogen
CID 174932310
stilbene azide
CID 159769295
disodium;hydride;(E)-stilbene
CID 173089328
hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-4-(2-phenylethenyl)benzene?
The IUPAC name of 1-ethynyl-4-(2-phenylethenyl)benzene (CID 71360336) is 1-ethynyl-4-(2-phenylethenyl)benzene.
What is the SMILES notation for 1-ethynyl-4-(2-phenylethenyl)benzene?
The canonical SMILES for 1-ethynyl-4-(2-phenylethenyl)benzene is C#Cc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 1-ethynyl-4-(2-phenylethenyl)benzene?
The InChIKey is CZTGWVKPRYCZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h1,3-13H.
What are the key properties of 1-ethynyl-4-(2-phenylethenyl)benzene?
1-ethynyl-4-(2-phenylethenyl)benzene has a molecular weight of 204.27 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-4-(2-phenylethenyl)benzene is sourced from PubChem (CID 71360336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).