1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene

C22H28O6 — CID 155519670

IUPAC1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene
SMILESCOc1cc(OC)c(/C=C/[C@H](C)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C22H28O6/c1-14(22-20(27-6)12-16(24-3)13-21(22)28-7)8-9-17-18(25-4)10-15(23-2)11-19(17)26-5/h8-14H,1-7H3/b9-8+/t14-/m0/s1
InChIKeyZKAXYCMKJMBSEG-VFNNOXKTSA-N
MW388.46 g/mol
LogP4.56
Rot. Bonds9

About 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene

1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene (PubChem CID 155519670) has the molecular formula C22H28O6 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene.

Molecular Properties

Compound Name1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene
PubChem CID155519670
Molecular FormulaC22H28O6
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Name1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene
SMILESCOc1cc(OC)c(/C=C/[C@H](C)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C22H28O6/c1-14(22-20(27-6)12-16(24-3)13-21(22)28-7)8-9-17-18(25-4)10-15(23-2)11-19(17)26-5/h8-14H,1-7H3/b9-8+/t14-/m0/s1
InChIKeyZKAXYCMKJMBSEG-VFNNOXKTSA-N
XLogP4.56
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene?
The IUPAC name of 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene (CID 155519670) is 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene.
What is the SMILES notation for 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene?
The canonical SMILES for 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene is COc1cc(OC)c(/C=C/[C@H](C)c2c(OC)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene?
The InChIKey is ZKAXYCMKJMBSEG-VFNNOXKTSA-N. The full InChI is InChI=1S/C22H28O6/c1-14(22-20(27-6)12-16(24-3)13-21(22)28-7)8-9-17-18(25-4)10-15(23-2)11-19(17)26-5/h8-14H,1-7H3/b9-8+/t14-/m0/s1.
What are the key properties of 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene?
1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene has a molecular weight of 388.46 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene is sourced from PubChem (CID 155519670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).