4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde

C12H16O4 — CID 121014751

IUPAC4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
SMILESCCOc1cc(O)c(C=O)c(OC)c1CC
InChIInChI=1S/C12H16O4/c1-4-8-11(16-5-2)6-10(14)9(7-13)12(8)15-3/h6-7,14H,4-5H2,1-3H3
InChIKeyKWVOFMVZPBOGTR-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.17
Rot. Bonds5

About 4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde

4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde (PubChem CID 121014751) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
PubChem CID121014751
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
SMILESCCOc1cc(O)c(C=O)c(OC)c1CC
InChIInChI=1S/C12H16O4/c1-4-8-11(16-5-2)6-10(14)9(7-13)12(8)15-3/h6-7,14H,4-5H2,1-3H3
InChIKeyKWVOFMVZPBOGTR-UHFFFAOYSA-N
XLogP2.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
CID 12700191
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
2-ethoxy-4,6-dihydroxybenzaldehyde
CID 130024854
3-bromo-2-ethoxy-4,6-dihydroxybenzaldehyde
CID 134963493
3-chloro-6-hydroxy-2,4-dimethoxybenzaldehyde
CID 12652203
2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
CID 17311099
4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
CID 22039501
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
methyl 4-formyl-2,5-dihydroxy-3-methoxybenzoate
CID 134867532

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde?
The IUPAC name of 4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde (CID 121014751) is 4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde.
What is the SMILES notation for 4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde?
The canonical SMILES for 4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde is CCOc1cc(O)c(C=O)c(OC)c1CC.
What is the InChIKey of 4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde?
The InChIKey is KWVOFMVZPBOGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-8-11(16-5-2)6-10(14)9(7-13)12(8)15-3/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde?
4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde has a molecular weight of 224.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde is sourced from PubChem (CID 121014751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).