1-phenylhex-5-en-1-yn-3-ylbenzene

C18H16 — CID 11183874

IUPAC1-phenylhex-5-en-1-yn-3-ylbenzene
SMILESC=CCC(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16/c1-2-9-17(18-12-7-4-8-13-18)15-14-16-10-5-3-6-11-16/h2-8,10-13,17H,1,9H2
InChIKeyIQCWHDMJGZSZLY-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.40
Rot. Bonds3

About 1-phenylhex-5-en-1-yn-3-ylbenzene

1-phenylhex-5-en-1-yn-3-ylbenzene (PubChem CID 11183874) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-phenylhex-5-en-1-yn-3-ylbenzene.

Molecular Properties

Compound Name1-phenylhex-5-en-1-yn-3-ylbenzene
PubChem CID11183874
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name1-phenylhex-5-en-1-yn-3-ylbenzene
SMILESC=CCC(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16/c1-2-9-17(18-12-7-4-8-13-18)15-14-16-10-5-3-6-11-16/h2-8,10-13,17H,1,9H2
InChIKeyIQCWHDMJGZSZLY-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1-phenylhex-5-en-1-yn-3-amine
CID 4266736
[(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene
CID 66553425
N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
CID 54579274
(5R)-5,7-diphenylhept-6-ynenitrile
CID 138911214
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
1-phenylhex-5-en-1-yn-3-yl acetate
CID 102073448
[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene
CID 138911269
(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one
CID 134949108
N-benzyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
CID 135025577
N-methyl-3,5-diphenylpent-4-ynamide
CID 135041577
1,4,6-triphenylhex-5-yn-1-one
CID 166443450
1-(1,3-diphenylprop-2-ynyl)-4-phenylbenzene
CID 102164234

Frequently Asked Questions

What is the IUPAC name of 1-phenylhex-5-en-1-yn-3-ylbenzene?
The IUPAC name of 1-phenylhex-5-en-1-yn-3-ylbenzene (CID 11183874) is 1-phenylhex-5-en-1-yn-3-ylbenzene.
What is the SMILES notation for 1-phenylhex-5-en-1-yn-3-ylbenzene?
The canonical SMILES for 1-phenylhex-5-en-1-yn-3-ylbenzene is C=CCC(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylhex-5-en-1-yn-3-ylbenzene?
The InChIKey is IQCWHDMJGZSZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-2-9-17(18-12-7-4-8-13-18)15-14-16-10-5-3-6-11-16/h2-8,10-13,17H,1,9H2.
What are the key properties of 1-phenylhex-5-en-1-yn-3-ylbenzene?
1-phenylhex-5-en-1-yn-3-ylbenzene has a molecular weight of 232.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylhex-5-en-1-yn-3-ylbenzene is sourced from PubChem (CID 11183874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).