1,2-dimethoxy-4-penta-1,3-dienylbenzene

C13H16O2 — CID 141114401

IUPAC1,2-dimethoxy-4-penta-1,3-dienylbenzene
SMILESCC=CC=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H16O2/c1-4-5-6-7-11-8-9-12(14-2)13(10-11)15-3/h4-10H,1-3H3
InChIKeyWSTAKHZTPMDORY-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.29
Rot. Bonds4

About 1,2-dimethoxy-4-penta-1,3-dienylbenzene

1,2-dimethoxy-4-penta-1,3-dienylbenzene (PubChem CID 141114401) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,2-dimethoxy-4-penta-1,3-dienylbenzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-penta-1,3-dienylbenzene
PubChem CID141114401
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1,2-dimethoxy-4-penta-1,3-dienylbenzene
SMILESCC=CC=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H16O2/c1-4-5-6-7-11-8-9-12(14-2)13(10-11)15-3/h4-10H,1-3H3
InChIKeyWSTAKHZTPMDORY-UHFFFAOYSA-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

(2E,4E)-5-(3,4-dimethoxyphenyl)penta-2,4-dienal
CID 12514233
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-trimethylstannane
CID 10806085
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
2-(3,4-dimethoxyphenyl)-N-methylethenamine
CID 174355717
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CID 709688
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
CID 102068140
CID 102068140
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
2-methoxy-5-prop-1-enylaniline
CID 853489
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-penta-1,3-dienylbenzene?
The IUPAC name of 1,2-dimethoxy-4-penta-1,3-dienylbenzene (CID 141114401) is 1,2-dimethoxy-4-penta-1,3-dienylbenzene.
What is the SMILES notation for 1,2-dimethoxy-4-penta-1,3-dienylbenzene?
The canonical SMILES for 1,2-dimethoxy-4-penta-1,3-dienylbenzene is CC=CC=Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-penta-1,3-dienylbenzene?
The InChIKey is WSTAKHZTPMDORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-5-6-7-11-8-9-12(14-2)13(10-11)15-3/h4-10H,1-3H3.
What are the key properties of 1,2-dimethoxy-4-penta-1,3-dienylbenzene?
1,2-dimethoxy-4-penta-1,3-dienylbenzene 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 1,2-dimethoxy-4-penta-1,3-dienylbenzene is sourced from PubChem (CID 141114401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).