1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene

C26H28O — CID 118969553

IUPAC1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cc(-c2ccc(CC)cc2)ccc1-c1ccc(CC)cc1
InChIInChI=1S/C26H28O/c1-5-20-7-11-22(12-8-20)24-15-16-25(26(17-24)27-18-19(3)4)23-13-9-21(6-2)10-14-23/h7-17H,3,5-6,18H2,1-2,4H3
InChIKeyXDGPRQHWRHJNNH-UHFFFAOYSA-N
MW356.51 g/mol
LogP7.10
Rot. Bonds7

About 1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene

1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene (PubChem CID 118969553) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene.

Molecular Properties

Compound Name1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene
PubChem CID118969553
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cc(-c2ccc(CC)cc2)ccc1-c1ccc(CC)cc1
InChIInChI=1S/C26H28O/c1-5-20-7-11-22(12-8-20)24-15-16-25(26(17-24)27-18-19(3)4)23-13-9-21(6-2)10-14-23/h7-17H,3,5-6,18H2,1-2,4H3
InChIKeyXDGPRQHWRHJNNH-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene?
The IUPAC name of 1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene (CID 118969553) is 1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene.
What is the SMILES notation for 1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene?
The canonical SMILES for 1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene is C=C(C)COc1cc(-c2ccc(CC)cc2)ccc1-c1ccc(CC)cc1.
What is the InChIKey of 1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene?
The InChIKey is XDGPRQHWRHJNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O/c1-5-20-7-11-22(12-8-20)24-15-16-25(26(17-24)27-18-19(3)4)23-13-9-21(6-2)10-14-23/h7-17H,3,5-6,18H2,1-2,4H3.
What are the key properties of 1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene?
1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene has a molecular weight of 356.51 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene is sourced from PubChem (CID 118969553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).