3,4-dimethoxy-5-prop-2-enylbenzaldehyde

C12H14O3 — CID 3144059

IUPAC3,4-dimethoxy-5-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C=O)cc(OC)c1OC
InChIInChI=1S/C12H14O3/c1-4-5-10-6-9(8-13)7-11(14-2)12(10)15-3/h4,6-8H,1,5H2,2-3H3
InChIKeyFBLUJEZNJVZMKK-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.24
Rot. Bonds5

About 3,4-dimethoxy-5-prop-2-enylbenzaldehyde

3,4-dimethoxy-5-prop-2-enylbenzaldehyde (PubChem CID 3144059) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3,4-dimethoxy-5-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name3,4-dimethoxy-5-prop-2-enylbenzaldehyde
PubChem CID3144059
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3,4-dimethoxy-5-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C=O)cc(OC)c1OC
InChIInChI=1S/C12H14O3/c1-4-5-10-6-9(8-13)7-11(14-2)12(10)15-3/h4,6-8H,1,5H2,2-3H3
InChIKeyFBLUJEZNJVZMKK-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-prop-2-enylbenzaldehyde?
The IUPAC name of 3,4-dimethoxy-5-prop-2-enylbenzaldehyde (CID 3144059) is 3,4-dimethoxy-5-prop-2-enylbenzaldehyde.
What is the SMILES notation for 3,4-dimethoxy-5-prop-2-enylbenzaldehyde?
The canonical SMILES for 3,4-dimethoxy-5-prop-2-enylbenzaldehyde is C=CCc1cc(C=O)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-prop-2-enylbenzaldehyde?
The InChIKey is FBLUJEZNJVZMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-4-5-10-6-9(8-13)7-11(14-2)12(10)15-3/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 3,4-dimethoxy-5-prop-2-enylbenzaldehyde?
3,4-dimethoxy-5-prop-2-enylbenzaldehyde has a molecular weight of 206.24 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-prop-2-enylbenzaldehyde is sourced from PubChem (CID 3144059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).