1-hex-4-enyl-4-phenylbenzene

C18H20 — CID 174423294

IUPAC1-hex-4-enyl-4-phenylbenzene
SMILESCC=CCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h2-3,5,7-8,10-15H,4,6,9H2,1H3
InChIKeyCXFCMOZFBALVDM-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.25
Rot. Bonds5

About 1-hex-4-enyl-4-phenylbenzene

1-hex-4-enyl-4-phenylbenzene (PubChem CID 174423294) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-hex-4-enyl-4-phenylbenzene.

Molecular Properties

Compound Name1-hex-4-enyl-4-phenylbenzene
PubChem CID174423294
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-hex-4-enyl-4-phenylbenzene
SMILESCC=CCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h2-3,5,7-8,10-15H,4,6,9H2,1H3
InChIKeyCXFCMOZFBALVDM-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.25
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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Related Compounds

1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene
CID 71056346
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
[[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride
CID 140539979
[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377
pent-3-enylbenzene
CID 519421
1-hex-5-enyl-4-phenylbenzene
CID 59235470
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
4-hept-5-enylphenol
CID 66787200
1-pentadecyl-4-phenylbenzene
CID 57166115
1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139743480
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744

Frequently Asked Questions

What is the IUPAC name of 1-hex-4-enyl-4-phenylbenzene?
The IUPAC name of 1-hex-4-enyl-4-phenylbenzene (CID 174423294) is 1-hex-4-enyl-4-phenylbenzene.
What is the SMILES notation for 1-hex-4-enyl-4-phenylbenzene?
The canonical SMILES for 1-hex-4-enyl-4-phenylbenzene is CC=CCCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-hex-4-enyl-4-phenylbenzene?
The InChIKey is CXFCMOZFBALVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h2-3,5,7-8,10-15H,4,6,9H2,1H3.
What are the key properties of 1-hex-4-enyl-4-phenylbenzene?
1-hex-4-enyl-4-phenylbenzene has a molecular weight of 236.36 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-4-enyl-4-phenylbenzene is sourced from PubChem (CID 174423294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).