1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene

C28H30O — CID 126610314

IUPAC1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene
SMILESC=CCCc1ccc(-c2ccc(OCc3ccc(CC/C=C/C)cc3)cc2)cc1
InChIInChI=1S/C28H30O/c1-3-5-7-9-24-10-12-25(13-11-24)22-29-28-20-18-27(19-21-28)26-16-14-23(15-17-26)8-6-4-2/h3-5,10-21H,2,6-9,22H2,1H3/b5-3+
InChIKeyYJNGIZDSBQFORR-HWKANZROSA-N
MW382.55 g/mol
LogP7.56
Rot. Bonds10

About 1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene

1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene (PubChem CID 126610314) has the molecular formula C28H30O and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene
PubChem CID126610314
Molecular FormulaC28H30O
Molecular Weight382.55 g/mol
Exact Mass382.23
IUPAC Name1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene
SMILESC=CCCc1ccc(-c2ccc(OCc3ccc(CC/C=C/C)cc3)cc2)cc1
InChIInChI=1S/C28H30O/c1-3-5-7-9-24-10-12-25(13-11-24)22-29-28-20-18-27(19-21-28)26-16-14-23(15-17-26)8-6-4-2/h3-5,10-21H,2,6-9,22H2,1H3/b5-3+
InChIKeyYJNGIZDSBQFORR-HWKANZROSA-N
XLogP7.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611
1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
1-but-3-enyl-4-[4-(difluoromethoxy)phenyl]benzene
CID 139764185
1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene
CID 83932852
1-[(Z)-pent-3-enyl]-4-phenoxybenzene
CID 83939005
1-butoxy-4-[2-(4-pent-3-enylphenyl)ethynyl]benzene
CID 139767162
1-fluoro-4-[4-[2-(4-pent-3-enylphenyl)ethynyl]phenyl]benzene
CID 139754130
1-(but-3-enoxymethyl)-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]phenyl]benzene
CID 67677298
1-pent-3-enyl-4-propylbenzene
CID 72599491

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene?
The IUPAC name of 1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene (CID 126610314) is 1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene.
What is the SMILES notation for 1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene?
The canonical SMILES for 1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene is C=CCCc1ccc(-c2ccc(OCc3ccc(CC/C=C/C)cc3)cc2)cc1.
What is the InChIKey of 1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene?
The InChIKey is YJNGIZDSBQFORR-HWKANZROSA-N. The full InChI is InChI=1S/C28H30O/c1-3-5-7-9-24-10-12-25(13-11-24)22-29-28-20-18-27(19-21-28)26-16-14-23(15-17-26)8-6-4-2/h3-5,10-21H,2,6-9,22H2,1H3/b5-3+.
What are the key properties of 1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene?
1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene has a molecular weight of 382.55 g/mol, XLogP of 7.56, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene is sourced from PubChem (CID 126610314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).