1-pent-4-ynyl-2-phenylbenzene

C17H16 — CID 174539283

IUPAC1-pent-4-ynyl-2-phenylbenzene
SMILESC#CCCCc1ccccc1-c1ccccc1
InChIInChI=1S/C17H16/c1-2-3-5-10-15-13-8-9-14-17(15)16-11-6-4-7-12-16/h1,4,6-9,11-14H,3,5,10H2
InChIKeyZBKJAXWXGZIZSS-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.31
Rot. Bonds4

About 1-pent-4-ynyl-2-phenylbenzene

1-pent-4-ynyl-2-phenylbenzene (PubChem CID 174539283) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-pent-4-ynyl-2-phenylbenzene.

Molecular Properties

Compound Name1-pent-4-ynyl-2-phenylbenzene
PubChem CID174539283
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name1-pent-4-ynyl-2-phenylbenzene
SMILESC#CCCCc1ccccc1-c1ccccc1
InChIInChI=1S/C17H16/c1-2-3-5-10-15-13-8-9-14-17(15)16-11-6-4-7-12-16/h1,4,6-9,11-14H,3,5,10H2
InChIKeyZBKJAXWXGZIZSS-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
5-(2-phenylphenyl)pentane-1-thiol
CID 10753589
gold;1-pentyl-2-phenylbenzene
CID 174945702
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-phenyl-2-[(2-phenylphenyl)methyl]benzene
CID 54434316
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
1-propylazulene
CID 10397225
1-butyl-2-(4-methylphenyl)benzene
CID 58626581

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynyl-2-phenylbenzene?
The IUPAC name of 1-pent-4-ynyl-2-phenylbenzene (CID 174539283) is 1-pent-4-ynyl-2-phenylbenzene.
What is the SMILES notation for 1-pent-4-ynyl-2-phenylbenzene?
The canonical SMILES for 1-pent-4-ynyl-2-phenylbenzene is C#CCCCc1ccccc1-c1ccccc1.
What is the InChIKey of 1-pent-4-ynyl-2-phenylbenzene?
The InChIKey is ZBKJAXWXGZIZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-2-3-5-10-15-13-8-9-14-17(15)16-11-6-4-7-12-16/h1,4,6-9,11-14H,3,5,10H2.
What are the key properties of 1-pent-4-ynyl-2-phenylbenzene?
1-pent-4-ynyl-2-phenylbenzene has a molecular weight of 220.31 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynyl-2-phenylbenzene is sourced from PubChem (CID 174539283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).