1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene

C22H26O3 — CID 155539368

IUPAC1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene
SMILESC=CC(C)(C)c1cc(/C=C/c2cc(OC)cc(OC)c2)ccc1OC
InChIInChI=1S/C22H26O3/c1-7-22(2,3)20-14-16(10-11-21(20)25-6)8-9-17-12-18(23-4)15-19(13-17)24-5/h7-15H,1H2,2-6H3/b9-8+
InChIKeyWPGJWPLBINMUCE-CMDGGOBGSA-N
MW338.45 g/mol
LogP5.35
Rot. Bonds7

About 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene

1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene (PubChem CID 155539368) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene
PubChem CID155539368
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene
SMILESC=CC(C)(C)c1cc(/C=C/c2cc(OC)cc(OC)c2)ccc1OC
InChIInChI=1S/C22H26O3/c1-7-22(2,3)20-14-16(10-11-21(20)25-6)8-9-17-12-18(23-4)15-19(13-17)24-5/h7-15H,1H2,2-6H3/b9-8+
InChIKeyWPGJWPLBINMUCE-CMDGGOBGSA-N
XLogP5.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]azanium chloride
CID 44564060
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
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
[2-methoxy-5-[(Z)-2-(3-methoxy-5-prop-2-enoxyphenyl)ethenyl]phenyl]azanium chloride
CID 44564099
1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-methylbutane-2,3-diol
CID 23245430
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]naphthalene
CID 44563763
5-[(Z)-2-(3-ethoxy-5-methoxyphenyl)ethenyl]-2-methoxyaniline;hydrochloride
CID 25050180
1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene
CID 90670107
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
2-(2,5-dimethoxyphenyl)-2-methylpropanal
CID 82077627

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene (CID 155539368) is 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene is C=CC(C)(C)c1cc(/C=C/c2cc(OC)cc(OC)c2)ccc1OC.
What is the InChIKey of 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene?
The InChIKey is WPGJWPLBINMUCE-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H26O3/c1-7-22(2,3)20-14-16(10-11-21(20)25-6)8-9-17-12-18(23-4)15-19(13-17)24-5/h7-15H,1H2,2-6H3/b9-8+.
What are the key properties of 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene?
1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene has a molecular weight of 338.45 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(E)-2-[4-methoxy-3-(2-methylbut-3-en-2-yl)phenyl]ethenyl]benzene is sourced from PubChem (CID 155539368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).