1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene

C18H14 — CID 101122267

IUPAC1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene
SMILESC=C=C(c1ccccc1)c1ccccc1C#CC
InChIInChI=1S/C18H14/c1-3-10-15-13-8-9-14-18(15)17(4-2)16-11-6-5-7-12-16/h5-9,11-14H,2H2,1H3
InChIKeyKIALVMNNICMXHM-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.27
Rot. Bonds2

About 1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene

1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene (PubChem CID 101122267) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene.

Molecular Properties

Compound Name1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene
PubChem CID101122267
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene
SMILESC=C=C(c1ccccc1)c1ccccc1C#CC
InChIInChI=1S/C18H14/c1-3-10-15-13-8-9-14-18(15)17(4-2)16-11-6-5-7-12-16/h5-9,11-14H,2H2,1H3
InChIKeyKIALVMNNICMXHM-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene?
The IUPAC name of 1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene (CID 101122267) is 1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene.
What is the SMILES notation for 1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene?
The canonical SMILES for 1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene is C=C=C(c1ccccc1)c1ccccc1C#CC.
What is the InChIKey of 1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene?
The InChIKey is KIALVMNNICMXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-3-10-15-13-8-9-14-18(15)17(4-2)16-11-6-5-7-12-16/h5-9,11-14H,2H2,1H3.
What are the key properties of 1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene?
1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene has a molecular weight of 230.31 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropa-1,2-dienyl)-2-prop-1-ynylbenzene is sourced from PubChem (CID 101122267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).