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

C23H30O6 — CID 53358553

IUPAC1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene
SMILESCCC(/C=C/c1cc(OC)c(OC)cc1OC)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C23H30O6/c1-8-15(17-12-21(27-5)23(29-7)14-19(17)25-3)9-10-16-11-20(26-4)22(28-6)13-18(16)24-2/h9-15H,8H2,1-7H3/b10-9+
InChIKeyWBDUPFYFUXXSSY-MDZDMXLPSA-N
MW402.49 g/mol
LogP4.95
Rot. Bonds10

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

1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene (PubChem CID 53358553) has the molecular formula C23H30O6 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene.

Molecular Properties

Compound Name1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene
PubChem CID53358553
Molecular FormulaC23H30O6
Molecular Weight402.49 g/mol
Exact Mass402.20
IUPAC Name1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene
SMILESCCC(/C=C/c1cc(OC)c(OC)cc1OC)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C23H30O6/c1-8-15(17-12-21(27-5)23(29-7)14-19(17)25-3)9-10-16-11-20(26-4)22(28-6)13-18(16)24-2/h9-15H,8H2,1-7H3/b10-9+
InChIKeyWBDUPFYFUXXSSY-MDZDMXLPSA-N
XLogP4.95
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79347454
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
1-bromo-5-[(E)-3-(5-bromo-2,4-dimethoxyphenyl)but-1-enyl]-2,4-dimethoxybenzene
CID 14972406
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2,5-dimethoxy-4-propoxybenzaldehyde
CID 614240
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate
CID 130417623
(E)-3-[2-(difluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117359378
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
CID 91567159
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
3-chloro-1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
CID 171863317

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene?
The IUPAC name of 1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene (CID 53358553) is 1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene.
What is the SMILES notation for 1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene?
The canonical SMILES for 1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene is CCC(/C=C/c1cc(OC)c(OC)cc1OC)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene?
The InChIKey is WBDUPFYFUXXSSY-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H30O6/c1-8-15(17-12-21(27-5)23(29-7)14-19(17)25-3)9-10-16-11-20(26-4)22(28-6)13-18(16)24-2/h9-15H,8H2,1-7H3/b10-9+.
What are the key properties of 1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene?
1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene has a molecular weight of 402.49 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethoxy-5-[(E)-1-(2,4,5-trimethoxyphenyl)pent-1-en-3-yl]benzene is sourced from PubChem (CID 53358553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).