4,5-diethoxy-2-hydroxybenzaldehyde

C11H14O4 — CID 22039093

IUPAC4,5-diethoxy-2-hydroxybenzaldehyde
SMILESCCOc1cc(O)c(C=O)cc1OCC
InChIInChI=1S/C11H14O4/c1-3-14-10-5-8(7-12)9(13)6-11(10)15-4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyDEMKNCFRRLVKPM-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.00
Rot. Bonds5

About 4,5-diethoxy-2-hydroxybenzaldehyde

4,5-diethoxy-2-hydroxybenzaldehyde (PubChem CID 22039093) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4,5-diethoxy-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4,5-diethoxy-2-hydroxybenzaldehyde
PubChem CID22039093
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4,5-diethoxy-2-hydroxybenzaldehyde
SMILESCCOc1cc(O)c(C=O)cc1OCC
InChIInChI=1S/C11H14O4/c1-3-14-10-5-8(7-12)9(13)6-11(10)15-4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyDEMKNCFRRLVKPM-UHFFFAOYSA-N
XLogP2.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.00
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-5-ethyl-2-hydroxybenzaldehyde
CID 22039501
2-ethoxy-4,6-dihydroxybenzaldehyde
CID 130024854
4-ethoxy-2,3-dihydroxybenzaldehyde
CID 44887021
2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 163641356
(5-bromo-2-ethoxy-4-formylphenyl) acetate
CID 7021626
2-bromo-4-butoxy-5-ethoxybenzaldehyde
CID 19578043
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
2-amino-4-chloro-5-ethoxybenzaldehyde
CID 130139421
3-ethoxy-4-formylbenzoic acid
CID 21100742
2-amino-3-ethoxy-4-hydroxybenzaldehyde
CID 90458894
4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
CID 121014751

Frequently Asked Questions

What is the IUPAC name of 4,5-diethoxy-2-hydroxybenzaldehyde?
The IUPAC name of 4,5-diethoxy-2-hydroxybenzaldehyde (CID 22039093) is 4,5-diethoxy-2-hydroxybenzaldehyde.
What is the SMILES notation for 4,5-diethoxy-2-hydroxybenzaldehyde?
The canonical SMILES for 4,5-diethoxy-2-hydroxybenzaldehyde is CCOc1cc(O)c(C=O)cc1OCC.
What is the InChIKey of 4,5-diethoxy-2-hydroxybenzaldehyde?
The InChIKey is DEMKNCFRRLVKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-14-10-5-8(7-12)9(13)6-11(10)15-4-2/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 4,5-diethoxy-2-hydroxybenzaldehyde?
4,5-diethoxy-2-hydroxybenzaldehyde has a molecular weight of 210.23 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethoxy-2-hydroxybenzaldehyde is sourced from PubChem (CID 22039093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).