4-phenylhexa-2,4-dien-3-ylbenzene

C18H18 — CID 2802592

IUPAC4-phenylhexa-2,4-dien-3-ylbenzene
SMILESCC=C(C(=CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h3-14H,1-2H3
InChIKeyVTUNKULRSRAFHV-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.19
Rot. Bonds3

About 4-phenylhexa-2,4-dien-3-ylbenzene

4-phenylhexa-2,4-dien-3-ylbenzene (PubChem CID 2802592) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-phenylhexa-2,4-dien-3-ylbenzene.

Molecular Properties

Compound Name4-phenylhexa-2,4-dien-3-ylbenzene
PubChem CID2802592
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name4-phenylhexa-2,4-dien-3-ylbenzene
SMILESCC=C(C(=CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h3-14H,1-2H3
InChIKeyVTUNKULRSRAFHV-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161

Frequently Asked Questions

What is the IUPAC name of 4-phenylhexa-2,4-dien-3-ylbenzene?
The IUPAC name of 4-phenylhexa-2,4-dien-3-ylbenzene (CID 2802592) is 4-phenylhexa-2,4-dien-3-ylbenzene.
What is the SMILES notation for 4-phenylhexa-2,4-dien-3-ylbenzene?
The canonical SMILES for 4-phenylhexa-2,4-dien-3-ylbenzene is CC=C(C(=CC)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-phenylhexa-2,4-dien-3-ylbenzene?
The InChIKey is VTUNKULRSRAFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h3-14H,1-2H3.
What are the key properties of 4-phenylhexa-2,4-dien-3-ylbenzene?
4-phenylhexa-2,4-dien-3-ylbenzene has a molecular weight of 234.34 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylhexa-2,4-dien-3-ylbenzene is sourced from PubChem (CID 2802592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).