1-phenylhepta-1,6-dienylbenzene

C19H20 — CID 11021254

IUPAC1-phenylhepta-1,6-dienylbenzene
SMILESC=CCCCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h2,5-10,12-16H,1,3-4,11H2
InChIKeyMYRNEKRGKLPZGC-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.47
Rot. Bonds6

About 1-phenylhepta-1,6-dienylbenzene

1-phenylhepta-1,6-dienylbenzene (PubChem CID 11021254) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-phenylhepta-1,6-dienylbenzene.

Molecular Properties

Compound Name1-phenylhepta-1,6-dienylbenzene
PubChem CID11021254
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-phenylhepta-1,6-dienylbenzene
SMILESC=CCCCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h2,5-10,12-16H,1,3-4,11H2
InChIKeyMYRNEKRGKLPZGC-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylhepta-1,6-dienylbenzene?
The IUPAC name of 1-phenylhepta-1,6-dienylbenzene (CID 11021254) is 1-phenylhepta-1,6-dienylbenzene.
What is the SMILES notation for 1-phenylhepta-1,6-dienylbenzene?
The canonical SMILES for 1-phenylhepta-1,6-dienylbenzene is C=CCCCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylhepta-1,6-dienylbenzene?
The InChIKey is MYRNEKRGKLPZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h2,5-10,12-16H,1,3-4,11H2.
What are the key properties of 1-phenylhepta-1,6-dienylbenzene?
1-phenylhepta-1,6-dienylbenzene has a molecular weight of 248.37 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylhepta-1,6-dienylbenzene is sourced from PubChem (CID 11021254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).