2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene

C13H16O2 — CID 90326933

IUPAC2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
SMILESC/C=C/C=C/c1ccc(OC)cc1OC
InChIInChI=1S/C13H16O2/c1-4-5-6-7-11-8-9-12(14-2)10-13(11)15-3/h4-10H,1-3H3/b5-4+,7-6+
InChIKeyYMMHNWBUFXWYBN-YTXTXJHMSA-N
MW204.27 g/mol
LogP3.29
Rot. Bonds4

About 2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene

2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene (PubChem CID 90326933) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
PubChem CID90326933
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
SMILESC/C=C/C=C/c1ccc(OC)cc1OC
InChIInChI=1S/C13H16O2/c1-4-5-6-7-11-8-9-12(14-2)10-13(11)15-3/h4-10H,1-3H3/b5-4+,7-6+
InChIKeyYMMHNWBUFXWYBN-YTXTXJHMSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine
CID 83350088
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
4-[2-(2,4-dimethoxyphenyl)ethenoxy]phenol
CID 131632823
1-[(E)-2-(2-bromo-3-methoxyphenyl)ethenyl]-2,4-dimethoxybenzene
CID 59502056
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene (CID 90326933) is 2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene is C/C=C/C=C/c1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene?
The InChIKey is YMMHNWBUFXWYBN-YTXTXJHMSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-5-6-7-11-8-9-12(14-2)10-13(11)15-3/h4-10H,1-3H3/b5-4+,7-6+.
What are the key properties of 2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene?
2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene has a molecular weight of 204.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene is sourced from PubChem (CID 90326933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).