acetylene;1-ethyl-4-phenylbenzene

C16H16 — CID 175126841

IUPACacetylene;1-ethyl-4-phenylbenzene
SMILESC#C.CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14.C2H2/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-2/h3-11H,2H2,1H3;1-2H
InChIKeyMFKIIOBDMAAXEG-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.17
Rot. Bonds2

About acetylene;1-ethyl-4-phenylbenzene

acetylene;1-ethyl-4-phenylbenzene (PubChem CID 175126841) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is acetylene;1-ethyl-4-phenylbenzene.

Molecular Properties

Compound Nameacetylene;1-ethyl-4-phenylbenzene
PubChem CID175126841
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Nameacetylene;1-ethyl-4-phenylbenzene
SMILESC#C.CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14.C2H2/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-2/h3-11H,2H2,1H3;1-2H
InChIKeyMFKIIOBDMAAXEG-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze acetylene;1-ethyl-4-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
acetylene;ethylbenzene;propane
CID 143490350
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
1,1'-biphenyl;ethylbenzene;naphthalene
CID 163537509
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809
ethylcyclodecapentaene
CID 90861705
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
2,5-bis(4-ethylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 13263066
sulfanium ethylbenzene
CID 22726309

Frequently Asked Questions

What is the IUPAC name of acetylene;1-ethyl-4-phenylbenzene?
The IUPAC name of acetylene;1-ethyl-4-phenylbenzene (CID 175126841) is acetylene;1-ethyl-4-phenylbenzene.
What is the SMILES notation for acetylene;1-ethyl-4-phenylbenzene?
The canonical SMILES for acetylene;1-ethyl-4-phenylbenzene is C#C.CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of acetylene;1-ethyl-4-phenylbenzene?
The InChIKey is MFKIIOBDMAAXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C2H2/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-2/h3-11H,2H2,1H3;1-2H.
What are the key properties of acetylene;1-ethyl-4-phenylbenzene?
acetylene;1-ethyl-4-phenylbenzene has a molecular weight of 208.30 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-ethyl-4-phenylbenzene is sourced from PubChem (CID 175126841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).