2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene

C33H30O — CID 173195108

IUPAC2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
SMILESCCOCc1c(C=Cc2ccccc2)cc(C=Cc2ccccc2)cc1C=Cc1ccccc1
InChIInChI=1S/C33H30O/c1-2-34-26-33-31(22-20-28-14-8-4-9-15-28)24-30(19-18-27-12-6-3-7-13-27)25-32(33)23-21-29-16-10-5-11-17-29/h3-25H,2,26H2,1H3
InChIKeyMETUIMHRTSPVBG-UHFFFAOYSA-N
MW442.60 g/mol
LogP8.73
Rot. Bonds9

About 2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene

2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene (PubChem CID 173195108) has the molecular formula C33H30O and a molecular weight of 442.60 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene.

Molecular Properties

Compound Name2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
PubChem CID173195108
Molecular FormulaC33H30O
Molecular Weight442.60 g/mol
Exact Mass442.23
IUPAC Name2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
SMILESCCOCc1c(C=Cc2ccccc2)cc(C=Cc2ccccc2)cc1C=Cc1ccccc1
InChIInChI=1S/C33H30O/c1-2-34-26-33-31(22-20-28-14-8-4-9-15-28)24-30(19-18-27-12-6-3-7-13-27)25-32(33)23-21-29-16-10-5-11-17-29/h3-25H,2,26H2,1H3
InChIKeyMETUIMHRTSPVBG-UHFFFAOYSA-N
XLogP8.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
CID 67275352
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
triethoxy-[2-[(E)-2-phenylethenyl]phenyl]silane
CID 122203429
5-ethoxypent-1-enylbenzene
CID 54285670
2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
CID 6071425
ethoxymethyl(2-phenylethenyl)silane
CID 154140007
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
(213C)ethoxymethylbenzene
CID 87947851

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene?
The IUPAC name of 2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene (CID 173195108) is 2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene.
What is the SMILES notation for 2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene?
The canonical SMILES for 2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene is CCOCc1c(C=Cc2ccccc2)cc(C=Cc2ccccc2)cc1C=Cc1ccccc1.
What is the InChIKey of 2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene?
The InChIKey is METUIMHRTSPVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O/c1-2-34-26-33-31(22-20-28-14-8-4-9-15-28)24-30(19-18-27-12-6-3-7-13-27)25-32(33)23-21-29-16-10-5-11-17-29/h3-25H,2,26H2,1H3.
What are the key properties of 2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene?
2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene has a molecular weight of 442.60 g/mol, XLogP of 8.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene is sourced from PubChem (CID 173195108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).