4-phenylpent-2-enylbenzene

C17H18 — CID 72731182

IUPAC4-phenylpent-2-enylbenzene
SMILESCC(C=CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18/c1-15(17-13-6-3-7-14-17)9-8-12-16-10-4-2-5-11-16/h2-11,13-15H,12H2,1H3
InChIKeyJDRVQGAXMLLCRM-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.59
Rot. Bonds4

About 4-phenylpent-2-enylbenzene

4-phenylpent-2-enylbenzene (PubChem CID 72731182) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-phenylpent-2-enylbenzene.

Molecular Properties

Compound Name4-phenylpent-2-enylbenzene
PubChem CID72731182
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name4-phenylpent-2-enylbenzene
SMILESCC(C=CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18/c1-15(17-13-6-3-7-14-17)9-8-12-16-10-4-2-5-11-16/h2-11,13-15H,12H2,1H3
InChIKeyJDRVQGAXMLLCRM-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-phenylpent-2-en-1-ol
CID 10725679
5-chloropent-3-en-2-ylbenzene
CID 71345200
(E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol
CID 54753064
(E,5S)-5-phenylhex-3-en-1-ol
CID 162402402
(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
trimethyl-[(E)-4-phenylpent-2-enyl]silane
CID 10889393
[(3E,7Z)-deca-3,7-dien-2-yl]benzene
CID 123551652
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
4-phenylbut-2-ene-1-thiol
CID 54126363
dodec-3-en-2-ylbenzene
CID 140717956
octadec-3-en-2-ylbenzene
CID 140717946
(E)-3-phenylbut-1-en-1-amine
CID 22024726

Frequently Asked Questions

What is the IUPAC name of 4-phenylpent-2-enylbenzene?
The IUPAC name of 4-phenylpent-2-enylbenzene (CID 72731182) is 4-phenylpent-2-enylbenzene.
What is the SMILES notation for 4-phenylpent-2-enylbenzene?
The canonical SMILES for 4-phenylpent-2-enylbenzene is CC(C=CCc1ccccc1)c1ccccc1.
What is the InChIKey of 4-phenylpent-2-enylbenzene?
The InChIKey is JDRVQGAXMLLCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-15(17-13-6-3-7-14-17)9-8-12-16-10-4-2-5-11-16/h2-11,13-15H,12H2,1H3.
What are the key properties of 4-phenylpent-2-enylbenzene?
4-phenylpent-2-enylbenzene has a molecular weight of 222.33 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpent-2-enylbenzene is sourced from PubChem (CID 72731182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).