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

C32H28O — CID 67275352

IUPAC2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
SMILESCOCc1c(C=Cc2ccccc2)cc(C=Cc2ccccc2)cc1C=Cc1ccccc1
InChIInChI=1S/C32H28O/c1-33-25-32-30(21-19-27-13-7-3-8-14-27)23-29(18-17-26-11-5-2-6-12-26)24-31(32)22-20-28-15-9-4-10-16-28/h2-24H,25H2,1H3
InChIKeyYQRQTUQFFXVYEB-UHFFFAOYSA-N
MW428.58 g/mol
LogP8.34
Rot. Bonds8

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

2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene (PubChem CID 67275352) has the molecular formula C32H28O and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene.

Molecular Properties

Compound Name2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
PubChem CID67275352
Molecular FormulaC32H28O
Molecular Weight428.58 g/mol
Exact Mass428.21
IUPAC Name2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
SMILESCOCc1c(C=Cc2ccccc2)cc(C=Cc2ccccc2)cc1C=Cc1ccccc1
InChIInChI=1S/C32H28O/c1-33-25-32-30(21-19-27-13-7-3-8-14-27)23-29(18-17-26-11-5-2-6-12-26)24-31(32)22-20-28-15-9-4-10-16-28/h2-24H,25H2,1H3
InChIKeyYQRQTUQFFXVYEB-UHFFFAOYSA-N
XLogP8.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 58.34
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-(ethoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
CID 173195108
2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol
CID 73316036
2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
CID 6071425
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene
CID 174823899
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-[2,4-dimethyl-6-[(E)-2-phenylethenyl]phenyl]-N,N-dimethylmethanamine
CID 6297072
1-(chloromethyl)-2,5-dimethoxy-4-(2-phenylethenyl)benzene
CID 67839791
2-[(E)-2-phenylethenyl]azulene
CID 12674002
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene?
The IUPAC name of 2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene (CID 67275352) is 2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene.
What is the SMILES notation for 2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene?
The canonical SMILES for 2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene is COCc1c(C=Cc2ccccc2)cc(C=Cc2ccccc2)cc1C=Cc1ccccc1.
What is the InChIKey of 2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene?
The InChIKey is YQRQTUQFFXVYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O/c1-33-25-32-30(21-19-27-13-7-3-8-14-27)23-29(18-17-26-11-5-2-6-12-26)24-31(32)22-20-28-15-9-4-10-16-28/h2-24H,25H2,1H3.
What are the key properties of 2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene?
2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene has a molecular weight of 428.58 g/mol, XLogP of 8.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene is sourced from PubChem (CID 67275352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).