4-phenylpenta-1,4-dien-2-ylbenzene

C17H15- — CID 102571838

IUPAC4-phenylpenta-1,4-dien-2-ylbenzene
SMILESC=C([CH-]C(=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17/h3-13H,1-2H2/q-1
InChIKeyYWLBJKQSPGGXKZ-UHFFFAOYSA-N
MW219.31 g/mol
LogP4.62
Rot. Bonds4

About 4-phenylpenta-1,4-dien-2-ylbenzene

4-phenylpenta-1,4-dien-2-ylbenzene (PubChem CID 102571838) has the molecular formula C17H15- and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-phenylpenta-1,4-dien-2-ylbenzene.

Molecular Properties

Compound Name4-phenylpenta-1,4-dien-2-ylbenzene
PubChem CID102571838
Molecular FormulaC17H15-
Molecular Weight219.31 g/mol
Exact Mass219.12
IUPAC Name4-phenylpenta-1,4-dien-2-ylbenzene
SMILESC=C([CH-]C(=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17/h3-13H,1-2H2/q-1
InChIKeyYWLBJKQSPGGXKZ-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-phenylpenta-1,4-dien-2-ylbenzene 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

1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
N-iodo-1-phenylethenamine
CID 147371496
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
phenacyl
CID 11123355
1-bromoethenylbenzene;sulfane
CID 175924538
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
CID 12505640
CID 12505640
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
CID 101388329
CID 101388329
phenol;1-phenylethenylbenzene
CID 174309625

Frequently Asked Questions

What is the IUPAC name of 4-phenylpenta-1,4-dien-2-ylbenzene?
The IUPAC name of 4-phenylpenta-1,4-dien-2-ylbenzene (CID 102571838) is 4-phenylpenta-1,4-dien-2-ylbenzene.
What is the SMILES notation for 4-phenylpenta-1,4-dien-2-ylbenzene?
The canonical SMILES for 4-phenylpenta-1,4-dien-2-ylbenzene is C=C([CH-]C(=C)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-phenylpenta-1,4-dien-2-ylbenzene?
The InChIKey is YWLBJKQSPGGXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15/c1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17/h3-13H,1-2H2/q-1.
What are the key properties of 4-phenylpenta-1,4-dien-2-ylbenzene?
4-phenylpenta-1,4-dien-2-ylbenzene has a molecular weight of 219.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpenta-1,4-dien-2-ylbenzene is sourced from PubChem (CID 102571838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).