5-ethoxy-2-hydroxy-3-methoxybenzaldehyde

C10H12O4 — CID 134891933

IUPAC5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
SMILESCCOc1cc(C=O)c(O)c(OC)c1
InChIInChI=1S/C10H12O4/c1-3-14-8-4-7(6-11)10(12)9(5-8)13-2/h4-6,12H,3H2,1-2H3
InChIKeyIVUFZILDXDTRAB-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.61
Rot. Bonds4

About 5-ethoxy-2-hydroxy-3-methoxybenzaldehyde

5-ethoxy-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 134891933) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-ethoxy-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
PubChem CID134891933
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
SMILESCCOc1cc(C=O)c(O)c(OC)c1
InChIInChI=1S/C10H12O4/c1-3-14-8-4-7(6-11)10(12)9(5-8)13-2/h4-6,12H,3H2,1-2H3
InChIKeyIVUFZILDXDTRAB-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-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
2-hydroxy-3-methoxy-5-propylbenzaldehyde
CID 14315769
2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde
CID 89289969
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195
2-acetyl-3-bromo-5-ethoxybenzaldehyde
CID 171001063
5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
CID 169476016
4-ethoxy-2-methoxyphenol
CID 54107015
4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
2-hydroxy-3-methoxy-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169474143
(4-ethoxy-2-formylphenyl)boronic acid
CID 52987974

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 5-ethoxy-2-hydroxy-3-methoxybenzaldehyde (CID 134891933) is 5-ethoxy-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-ethoxy-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-ethoxy-2-hydroxy-3-methoxybenzaldehyde is CCOc1cc(C=O)c(O)c(OC)c1.
What is the InChIKey of 5-ethoxy-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is IVUFZILDXDTRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-14-8-4-7(6-11)10(12)9(5-8)13-2/h4-6,12H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-hydroxy-3-methoxybenzaldehyde?
5-ethoxy-2-hydroxy-3-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 5-ethoxy-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 134891933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).