1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene

C22H28 — CID 54142256

IUPAC1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene
SMILESCCCCC=Cc1ccc(Cc2ccc(CCC)cc2)cc1
InChIInChI=1S/C22H28/c1-3-5-6-7-9-20-12-16-22(17-13-20)18-21-14-10-19(8-4-2)11-15-21/h7,9-17H,3-6,8,18H2,1-2H3
InChIKeyOBXOQAWGEUHCHZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.43
Rot. Bonds8

About 1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene

1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene (PubChem CID 54142256) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene
PubChem CID54142256
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene
SMILESCCCCC=Cc1ccc(Cc2ccc(CCC)cc2)cc1
InChIInChI=1S/C22H28/c1-3-5-6-7-9-20-12-16-22(17-13-20)18-21-14-10-19(8-4-2)11-15-21/h7,9-17H,3-6,8,18H2,1-2H3
InChIKeyOBXOQAWGEUHCHZ-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-4-hept-1-enylbenzene
CID 173045869
1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991602
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
4-(4-hexylphenyl)but-3-ene-1-thiol
CID 170479144
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
3-[4-[(E)-non-1-enyl]phenyl]propanoic acid
CID 67913718
1-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]-4-propylbenzene
CID 173321829
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene
CID 22991673
1-hexyl-4-(4-methoxybut-1-enyl)benzene
CID 69349252
1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene
CID 70028075
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene?
The IUPAC name of 1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene (CID 54142256) is 1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene.
What is the SMILES notation for 1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene?
The canonical SMILES for 1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene is CCCCC=Cc1ccc(Cc2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene?
The InChIKey is OBXOQAWGEUHCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-3-5-6-7-9-20-12-16-22(17-13-20)18-21-14-10-19(8-4-2)11-15-21/h7,9-17H,3-6,8,18H2,1-2H3.
What are the key properties of 1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene?
1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene has a molecular weight of 292.47 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene is sourced from PubChem (CID 54142256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).