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

C13H18O2 — CID 12892889

IUPAC1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H18O2/c1-4-5-6-7-11-8-9-12(14-2)13(10-11)15-3/h6-10H,4-5H2,1-3H3/b7-6+
InChIKeyCHXGKXZGBGTGDR-VOTSOKGWSA-N
MW206.28 g/mol
LogP3.52
Rot. Bonds5

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

1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene (PubChem CID 12892889) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
PubChem CID12892889
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H18O2/c1-4-5-6-7-11-8-9-12(14-2)13(10-11)15-3/h6-10H,4-5H2,1-3H3/b7-6+
InChIKeyCHXGKXZGBGTGDR-VOTSOKGWSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 79593408
(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol
CID 98016041
4-[(E)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]disulfanyl]prop-1-enyl]-1,2-dimethoxybenzene
CID 122188364
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
CID 76996860
S-[4-(3,4-dimethoxyphenyl)but-3-enyl] ethanethioate
CID 170480387
4-[3-[4-(3,4-dimethoxyphenyl)but-3-enoxy]but-1-enyl]-1,2-dimethoxybenzene
CID 75041513
4-(3,4-dimethoxyphenyl)but-3-enyl hydrogen sulfate
CID 162818086
4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene
CID 79323774
(E)-11-(3,4-dimethoxyphenyl)undec-10-en-2-yn-1-ol
CID 22164993
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol
CID 54330886

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene (CID 12892889) is 1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene is CCC/C=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene?
The InChIKey is CHXGKXZGBGTGDR-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-5-6-7-11-8-9-12(14-2)13(10-11)15-3/h6-10H,4-5H2,1-3H3/b7-6+.
What are the key properties of 1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene?
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene has a molecular weight of 206.28 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene is sourced from PubChem (CID 12892889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).