1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene

C26H26O — CID 67702491

IUPAC1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene
SMILESC=Cc1ccc(COCc2ccc(C=C)c(C=C)c2C=C)c(C=C)c1C=C
InChIInChI=1S/C26H26O/c1-7-19-13-15-21(25(11-5)23(19)9-3)17-27-18-22-16-14-20(8-2)24(10-4)26(22)12-6/h7-16H,1-6,17-18H2
InChIKeyVOTPLEYBVRHETK-UHFFFAOYSA-N
MW354.49 g/mol
LogP7.26
Rot. Bonds10

About 1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene

1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene (PubChem CID 67702491) has the molecular formula C26H26O and a molecular weight of 354.49 g/mol. Its IUPAC name is 1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene.

Molecular Properties

Compound Name1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene
PubChem CID67702491
Molecular FormulaC26H26O
Molecular Weight354.49 g/mol
Exact Mass354.20
IUPAC Name1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene
SMILESC=Cc1ccc(COCc2ccc(C=C)c(C=C)c2C=C)c(C=C)c1C=C
InChIInChI=1S/C26H26O/c1-7-19-13-15-21(25(11-5)23(19)9-3)17-27-18-22-16-14-20(8-2)24(10-4)26(22)12-6/h7-16H,1-6,17-18H2
InChIKeyVOTPLEYBVRHETK-UHFFFAOYSA-N
XLogP7.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene?
The IUPAC name of 1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene (CID 67702491) is 1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene.
What is the SMILES notation for 1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene?
The canonical SMILES for 1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene is C=Cc1ccc(COCc2ccc(C=C)c(C=C)c2C=C)c(C=C)c1C=C.
What is the InChIKey of 1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene?
The InChIKey is VOTPLEYBVRHETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O/c1-7-19-13-15-21(25(11-5)23(19)9-3)17-27-18-22-16-14-20(8-2)24(10-4)26(22)12-6/h7-16H,1-6,17-18H2.
What are the key properties of 1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene?
1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene has a molecular weight of 354.49 g/mol, XLogP of 7.26, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(ethenyl)-4-[[2,3,4-tris(ethenyl)phenyl]methoxymethyl]benzene is sourced from PubChem (CID 67702491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).