2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene

C26H28O5 — CID 169227072

IUPAC2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene
SMILESCOc1ccc(/C=C/C(c2ccc(OC)cc2)c2c(OC)cc(OC)cc2OC)cc1
InChIInChI=1S/C26H28O5/c1-27-20-11-6-18(7-12-20)8-15-23(19-9-13-21(28-2)14-10-19)26-24(30-4)16-22(29-3)17-25(26)31-5/h6-17,23H,1-5H3/b15-8+
InChIKeyWVBDPIKERNAIBK-OVCLIPMQSA-N
MW420.51 g/mol
LogP5.57
Rot. Bonds9

About 2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene

2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene (PubChem CID 169227072) has the molecular formula C26H28O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene
PubChem CID169227072
Molecular FormulaC26H28O5
Molecular Weight420.51 g/mol
Exact Mass420.19
IUPAC Name2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene
SMILESCOc1ccc(/C=C/C(c2ccc(OC)cc2)c2c(OC)cc(OC)cc2OC)cc1
InChIInChI=1S/C26H28O5/c1-27-20-11-6-18(7-12-20)8-15-23(19-9-13-21(28-2)14-10-19)26-24(30-4)16-22(29-3)17-25(26)31-5/h6-17,23H,1-5H3/b15-8+
InChIKeyWVBDPIKERNAIBK-OVCLIPMQSA-N
XLogP5.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
CID 162984597
[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 90702066
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
[3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol
CID 89026769
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
1-[3-[3-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
CID 68531173
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571
3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 78103173

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene?
The IUPAC name of 2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene (CID 169227072) is 2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene is COc1ccc(/C=C/C(c2ccc(OC)cc2)c2c(OC)cc(OC)cc2OC)cc1.
What is the InChIKey of 2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene?
The InChIKey is WVBDPIKERNAIBK-OVCLIPMQSA-N. The full InChI is InChI=1S/C26H28O5/c1-27-20-11-6-18(7-12-20)8-15-23(19-9-13-21(28-2)14-10-19)26-24(30-4)16-22(29-3)17-25(26)31-5/h6-17,23H,1-5H3/b15-8+.
What are the key properties of 2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene?
2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene has a molecular weight of 420.51 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene is sourced from PubChem (CID 169227072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).