3-ethoxy-4-hydroxy-5-methoxybenzaldehyde

C10H12O4 — CID 58629750

IUPAC3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
SMILESCCOc1cc(C=O)cc(OC)c1O
InChIInChI=1S/C10H12O4/c1-3-14-9-5-7(6-11)4-8(13-2)10(9)12/h4-6,12H,3H2,1-2H3
InChIKeyATNGLYYDKYCKPC-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.61
Rot. Bonds4

About 3-ethoxy-4-hydroxy-5-methoxybenzaldehyde

3-ethoxy-4-hydroxy-5-methoxybenzaldehyde (PubChem CID 58629750) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-ethoxy-4-hydroxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
PubChem CID58629750
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
SMILESCCOc1cc(C=O)cc(OC)c1O
InChIInChI=1S/C10H12O4/c1-3-14-9-5-7(6-11)4-8(13-2)10(9)12/h4-6,12H,3H2,1-2H3
InChIKeyATNGLYYDKYCKPC-UHFFFAOYSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.61
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

2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 101382375
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
ethyl 5-formyl-2-hydroxy-3-methoxybenzoate
CID 76851767
5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde
CID 139667208
5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
CID 134891933
sodium 5-formyl-2-hydroxy-3-methoxybenzoate
CID 23721913
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
5-formyl-2-hydroxy-3-methoxybenzonitrile
CID 18359065
4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136928188
3-[2-[(5-formyl-2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-5-methoxybenzaldehyde
CID 136617808
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-hydroxy-5-methoxybenzaldehyde?
The IUPAC name of 3-ethoxy-4-hydroxy-5-methoxybenzaldehyde (CID 58629750) is 3-ethoxy-4-hydroxy-5-methoxybenzaldehyde.
What is the SMILES notation for 3-ethoxy-4-hydroxy-5-methoxybenzaldehyde?
The canonical SMILES for 3-ethoxy-4-hydroxy-5-methoxybenzaldehyde is CCOc1cc(C=O)cc(OC)c1O.
What is the InChIKey of 3-ethoxy-4-hydroxy-5-methoxybenzaldehyde?
The InChIKey is ATNGLYYDKYCKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-14-9-5-7(6-11)4-8(13-2)10(9)12/h4-6,12H,3H2,1-2H3.
What are the key properties of 3-ethoxy-4-hydroxy-5-methoxybenzaldehyde?
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde has a molecular weight of 196.20 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-hydroxy-5-methoxybenzaldehyde is sourced from PubChem (CID 58629750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).