3-ethyl-4,5-dimethoxybenzaldehyde

C11H14O3 — CID 88965998

IUPAC3-ethyl-4,5-dimethoxybenzaldehyde
SMILESCCc1cc(C=O)cc(OC)c1OC
InChIInChI=1S/C11H14O3/c1-4-9-5-8(7-12)6-10(13-2)11(9)14-3/h5-7H,4H2,1-3H3
InChIKeyNSFGTTUWBLIOOT-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.08
Rot. Bonds4

About 3-ethyl-4,5-dimethoxybenzaldehyde

3-ethyl-4,5-dimethoxybenzaldehyde (PubChem CID 88965998) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name3-ethyl-4,5-dimethoxybenzaldehyde
PubChem CID88965998
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-ethyl-4,5-dimethoxybenzaldehyde
SMILESCCc1cc(C=O)cc(OC)c1OC
InChIInChI=1S/C11H14O3/c1-4-9-5-8(7-12)6-10(13-2)11(9)14-3/h5-7H,4H2,1-3H3
InChIKeyNSFGTTUWBLIOOT-UHFFFAOYSA-N
XLogP2.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.08
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

3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
2-(5-formyl-2,3-dimethoxyphenyl)acetonitrile
CID 117293177
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3,4-dimethoxy-5-[2-(methylamino)ethyl]benzaldehyde
CID 117320008
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
3-(3-hydroxyprop-1-enyl)-4,5-dimethoxybenzaldehyde
CID 169454316
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
CID 87769001
CID 87769001
4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
CID 43516597
ethane;1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562754

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethoxybenzaldehyde?
The IUPAC name of 3-ethyl-4,5-dimethoxybenzaldehyde (CID 88965998) is 3-ethyl-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 3-ethyl-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 3-ethyl-4,5-dimethoxybenzaldehyde is CCc1cc(C=O)cc(OC)c1OC.
What is the InChIKey of 3-ethyl-4,5-dimethoxybenzaldehyde?
The InChIKey is NSFGTTUWBLIOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-9-5-8(7-12)6-10(13-2)11(9)14-3/h5-7H,4H2,1-3H3.
What are the key properties of 3-ethyl-4,5-dimethoxybenzaldehyde?
3-ethyl-4,5-dimethoxybenzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 88965998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).