2-ethoxy-4,6-dihydroxybenzaldehyde

C9H10O4 — CID 130024854

IUPAC2-ethoxy-4,6-dihydroxybenzaldehyde
SMILESCCOc1cc(O)cc(O)c1C=O
InChIInChI=1S/C9H10O4/c1-2-13-9-4-6(11)3-8(12)7(9)5-10/h3-5,11-12H,2H2,1H3
InChIKeyUEOLDUZSFQTUCP-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.31
Rot. Bonds3

About 2-ethoxy-4,6-dihydroxybenzaldehyde

2-ethoxy-4,6-dihydroxybenzaldehyde (PubChem CID 130024854) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-ethoxy-4,6-dihydroxybenzaldehyde.

Molecular Properties

Compound Name2-ethoxy-4,6-dihydroxybenzaldehyde
PubChem CID130024854
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2-ethoxy-4,6-dihydroxybenzaldehyde
SMILESCCOc1cc(O)cc(O)c1C=O
InChIInChI=1S/C9H10O4/c1-2-13-9-4-6(11)3-8(12)7(9)5-10/h3-5,11-12H,2H2,1H3
InChIKeyUEOLDUZSFQTUCP-UHFFFAOYSA-N
XLogP1.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-4-methylbenzene-1,3-diol
CID 130032613
4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
CID 121014751
actinium;2,4,6-trihydroxybenzaldehyde
CID 23534158
4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
3-bromo-2-ethoxy-4,6-dihydroxybenzaldehyde
CID 134963493
3,4,5-triethoxyphenol
CID 19754898
3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
benzaldehyde;2-ethoxybenzene-1,4-diol
CID 159645341
4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
CID 12700191
4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
CID 22039501
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
4-acetyl-2-bromo-6-ethoxybenzaldehyde
CID 171001177

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,6-dihydroxybenzaldehyde?
The IUPAC name of 2-ethoxy-4,6-dihydroxybenzaldehyde (CID 130024854) is 2-ethoxy-4,6-dihydroxybenzaldehyde.
What is the SMILES notation for 2-ethoxy-4,6-dihydroxybenzaldehyde?
The canonical SMILES for 2-ethoxy-4,6-dihydroxybenzaldehyde is CCOc1cc(O)cc(O)c1C=O.
What is the InChIKey of 2-ethoxy-4,6-dihydroxybenzaldehyde?
The InChIKey is UEOLDUZSFQTUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-2-13-9-4-6(11)3-8(12)7(9)5-10/h3-5,11-12H,2H2,1H3.
What are the key properties of 2-ethoxy-4,6-dihydroxybenzaldehyde?
2-ethoxy-4,6-dihydroxybenzaldehyde has a molecular weight of 182.17 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,6-dihydroxybenzaldehyde is sourced from PubChem (CID 130024854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).