1,2,3,4-tetramethoxy-5-prop-2-enylbenzene

C13H18O4 — CID 617233

IUPAC1,2,3,4-tetramethoxy-5-prop-2-enylbenzene
SMILESC=CCc1cc(OC)c(OC)c(OC)c1OC
InChIInChI=1S/C13H18O4/c1-6-7-9-8-10(14-2)12(16-4)13(17-5)11(9)15-3/h6,8H,1,7H2,2-5H3
InChIKeyHRAXJWRHSUTMCS-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.45
Rot. Bonds6

About 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene

1,2,3,4-tetramethoxy-5-prop-2-enylbenzene (PubChem CID 617233) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetramethoxy-5-prop-2-enylbenzene
PubChem CID617233
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1,2,3,4-tetramethoxy-5-prop-2-enylbenzene
SMILESC=CCc1cc(OC)c(OC)c(OC)c1OC
InChIInChI=1S/C13H18O4/c1-6-7-9-8-10(14-2)12(16-4)13(17-5)11(9)15-3/h6,8H,1,7H2,2-5H3
InChIKeyHRAXJWRHSUTMCS-UHFFFAOYSA-N
XLogP2.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene?
The IUPAC name of 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene (CID 617233) is 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene.
What is the SMILES notation for 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene?
The canonical SMILES for 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene is C=CCc1cc(OC)c(OC)c(OC)c1OC.
What is the InChIKey of 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene?
The InChIKey is HRAXJWRHSUTMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-6-7-9-8-10(14-2)12(16-4)13(17-5)11(9)15-3/h6,8H,1,7H2,2-5H3.
What are the key properties of 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene?
1,2,3,4-tetramethoxy-5-prop-2-enylbenzene has a molecular weight of 238.28 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene is sourced from PubChem (CID 617233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).