3-ethoxy-4-hydroxybenzaldehyde

C9H10O3 — CID 8467

IUPAC3-ethoxy-4-hydroxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1O
InChIInChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
InChIKeyCBOQJANXLMLOSS-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.60
Rot. Bonds3

About 3-ethoxy-4-hydroxybenzaldehyde

3-ethoxy-4-hydroxybenzaldehyde (PubChem CID 8467) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-ethoxy-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-hydroxybenzaldehyde
PubChem CID8467
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name3-ethoxy-4-hydroxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1O
InChIInChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
InChIKeyCBOQJANXLMLOSS-UHFFFAOYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-hydroxybenzaldehyde?
The IUPAC name of 3-ethoxy-4-hydroxybenzaldehyde (CID 8467) is 3-ethoxy-4-hydroxybenzaldehyde.
What is the SMILES notation for 3-ethoxy-4-hydroxybenzaldehyde?
The canonical SMILES for 3-ethoxy-4-hydroxybenzaldehyde is CCOc1cc(C=O)ccc1O.
What is the InChIKey of 3-ethoxy-4-hydroxybenzaldehyde?
The InChIKey is CBOQJANXLMLOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3.
What are the key properties of 3-ethoxy-4-hydroxybenzaldehyde?
3-ethoxy-4-hydroxybenzaldehyde has a molecular weight of 166.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-hydroxybenzaldehyde is sourced from PubChem (CID 8467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).