3-ethoxy-6-hydroxy-2-methoxybenzaldehyde

C10H12O4 — CID 134891938

IUPAC3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
SMILESCCOc1ccc(O)c(C=O)c1OC
InChIInChI=1S/C10H12O4/c1-3-14-9-5-4-8(12)7(6-11)10(9)13-2/h4-6,12H,3H2,1-2H3
InChIKeyCYHYEMQEHGUJDS-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.61
Rot. Bonds4

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

3-ethoxy-6-hydroxy-2-methoxybenzaldehyde (PubChem CID 134891938) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-ethoxy-6-hydroxy-2-methoxybenzaldehyde.

Molecular Properties

Compound Name3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
PubChem CID134891938
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
SMILESCCOc1ccc(O)c(C=O)c1OC
InChIInChI=1S/C10H12O4/c1-3-14-9-5-4-8(12)7(6-11)10(9)13-2/h4-6,12H,3H2,1-2H3
InChIKeyCYHYEMQEHGUJDS-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

4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
CID 121014751
4-ethoxy-6-hydroxy-2-methoxy-3-nitrobenzaldehyde
CID 12700191
2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
CID 17311099
2-ethoxy-4,6-dihydroxybenzaldehyde
CID 130024854
3-ethoxy-6-methylphthalaldehyde
CID 171004125
3-bromo-2-ethoxy-4,6-dihydroxybenzaldehyde
CID 134963493
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
4-ethoxy-2,3-dihydroxybenzaldehyde
CID 44887021
6-hydroxy-3-methoxy-2-nitrobenzaldehyde
CID 44614059
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
2,4-diethoxy-3-methylphenol
CID 11030728
(4-ethoxy-3-formylphenyl)-methylborinic acid
CID 89271667

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-hydroxy-2-methoxybenzaldehyde?
The IUPAC name of 3-ethoxy-6-hydroxy-2-methoxybenzaldehyde (CID 134891938) is 3-ethoxy-6-hydroxy-2-methoxybenzaldehyde.
What is the SMILES notation for 3-ethoxy-6-hydroxy-2-methoxybenzaldehyde?
The canonical SMILES for 3-ethoxy-6-hydroxy-2-methoxybenzaldehyde is CCOc1ccc(O)c(C=O)c1OC.
What is the InChIKey of 3-ethoxy-6-hydroxy-2-methoxybenzaldehyde?
The InChIKey is CYHYEMQEHGUJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-14-9-5-4-8(12)7(6-11)10(9)13-2/h4-6,12H,3H2,1-2H3.
What are the key properties of 3-ethoxy-6-hydroxy-2-methoxybenzaldehyde?
3-ethoxy-6-hydroxy-2-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-6-hydroxy-2-methoxybenzaldehyde is sourced from PubChem (CID 134891938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).