2-buta-2,3-dienoxy-3-methoxybenzaldehyde

C12H12O3 — CID 25034027

IUPAC2-buta-2,3-dienoxy-3-methoxybenzaldehyde
SMILESC=C=CCOc1c(C=O)cccc1OC
InChIInChI=1S/C12H12O3/c1-3-4-8-15-12-10(9-13)6-5-7-11(12)14-2/h4-7,9H,1,8H2,2H3
InChIKeyVISLTZDZKJJQQC-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.23
Rot. Bonds5

About 2-buta-2,3-dienoxy-3-methoxybenzaldehyde

2-buta-2,3-dienoxy-3-methoxybenzaldehyde (PubChem CID 25034027) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-buta-2,3-dienoxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-buta-2,3-dienoxy-3-methoxybenzaldehyde
PubChem CID25034027
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2-buta-2,3-dienoxy-3-methoxybenzaldehyde
SMILESC=C=CCOc1c(C=O)cccc1OC
InChIInChI=1S/C12H12O3/c1-3-4-8-15-12-10(9-13)6-5-7-11(12)14-2/h4-7,9H,1,8H2,2H3
InChIKeyVISLTZDZKJJQQC-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
methyl (E)-4-(2-formyl-6-methoxyphenoxy)but-2-enoate
CID 10955961
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-(4-chlorobut-2-ynoxy)-3-methoxybenzaldehyde
CID 53406394
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
methyl (2E,4E)-6-(2-formyl-6-methoxyphenoxy)hexa-2,4-dienoate
CID 102219776
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368

Frequently Asked Questions

What is the IUPAC name of 2-buta-2,3-dienoxy-3-methoxybenzaldehyde?
The IUPAC name of 2-buta-2,3-dienoxy-3-methoxybenzaldehyde (CID 25034027) is 2-buta-2,3-dienoxy-3-methoxybenzaldehyde.
What is the SMILES notation for 2-buta-2,3-dienoxy-3-methoxybenzaldehyde?
The canonical SMILES for 2-buta-2,3-dienoxy-3-methoxybenzaldehyde is C=C=CCOc1c(C=O)cccc1OC.
What is the InChIKey of 2-buta-2,3-dienoxy-3-methoxybenzaldehyde?
The InChIKey is VISLTZDZKJJQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-4-8-15-12-10(9-13)6-5-7-11(12)14-2/h4-7,9H,1,8H2,2H3.
What are the key properties of 2-buta-2,3-dienoxy-3-methoxybenzaldehyde?
2-buta-2,3-dienoxy-3-methoxybenzaldehyde has a molecular weight of 204.22 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-2,3-dienoxy-3-methoxybenzaldehyde is sourced from PubChem (CID 25034027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).