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

C26H28O — CID 118969544

IUPAC1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(OC=C(C)C)c2)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/h7-18H,5-6H2,1-4H3
InChIKeyGOLDNVNHUSLDEW-UHFFFAOYSA-N
MW356.51 g/mol
LogP7.45
Rot. Bonds6

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

1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene (PubChem CID 118969544) 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-1-enoxy)benzene.

Molecular Properties

Compound Name1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene
PubChem CID118969544
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(OC=C(C)C)c2)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/h7-18H,5-6H2,1-4H3
InChIKeyGOLDNVNHUSLDEW-UHFFFAOYSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(4-ethylphenyl)-2-(2-methylprop-2-enoxy)benzene
CID 118969553
[2,5-bis(4-ethylphenyl)phenyl] 2-methylidenebutanoate
CID 118969552
2-ethyl-1,4-bis(4-ethylphenyl)benzene
CID 157074789
2-[4-[2-(2-methylprop-1-enoxy)-4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 118907602
3-(4-ethylphenyl)-6-[4-(hydroxymethyl)phenyl]phenanthrene-9,10-dione
CID 121306788
5-(4-ethylphenyl)-2-methylphenol
CID 53218816
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
1,4-bis(4-ethylphenyl)benzene;bis(2-methylbuta-1,3-diene)
CID 145217101
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
[2-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 145122374
4-(4-ethylphenyl)-3-methylphenol
CID 83130010

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene?
The IUPAC name of 1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene (CID 118969544) is 1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene.
What is the SMILES notation for 1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene?
The canonical SMILES for 1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene is CCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(OC=C(C)C)c2)cc1.
What is the InChIKey of 1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene?
The InChIKey is GOLDNVNHUSLDEW-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/h7-18H,5-6H2,1-4H3.
What are the key properties of 1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene?
1,4-bis(4-ethylphenyl)-2-(2-methylprop-1-enoxy)benzene has a molecular weight of 356.51 g/mol, XLogP of 7.45, 6 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-1-enoxy)benzene is sourced from PubChem (CID 118969544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).