1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene

C13H18O2 — CID 130417604

IUPAC1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
SMILESCOc1ccc(OC)c(/C=C/C(C)C)c1
InChIInChI=1S/C13H18O2/c1-10(2)5-6-11-9-12(14-3)7-8-13(11)15-4/h5-10H,1-4H3/b6-5+
InChIKeyVTJIXKXRDGKIMD-AATRIKPKSA-N
MW206.28 g/mol
LogP3.37
Rot. Bonds4

About 1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene

1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene (PubChem CID 130417604) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
PubChem CID130417604
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
SMILESCOc1ccc(OC)c(/C=C/C(C)C)c1
InChIInChI=1S/C13H18O2/c1-10(2)5-6-11-9-12(14-3)7-8-13(11)15-4/h5-10H,1-4H3/b6-5+
InChIKeyVTJIXKXRDGKIMD-AATRIKPKSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-iodoethenyl)-1,4-dimethoxybenzene
CID 57364234
1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730
2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
CID 46839985
4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
[(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid
CID 81222718
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
(E)-4-(2,4-dimethoxyphenyl)but-3-en-2-amine
CID 83350088
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]pyridine
CID 144798319
1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
CID 10539917
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyridin-1-ium iodide
CID 171668959
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene?
The IUPAC name of 1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene (CID 130417604) is 1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene.
What is the SMILES notation for 1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene?
The canonical SMILES for 1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene is COc1ccc(OC)c(/C=C/C(C)C)c1.
What is the InChIKey of 1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene?
The InChIKey is VTJIXKXRDGKIMD-AATRIKPKSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)5-6-11-9-12(14-3)7-8-13(11)15-4/h5-10H,1-4H3/b6-5+.
What are the key properties of 1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene?
1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene has a molecular weight of 206.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene is sourced from PubChem (CID 130417604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).