4-ethoxy-5-ethyl-2-hydroxybenzaldehyde

C11H14O3 — CID 22039501

IUPAC4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
SMILESCCOc1cc(O)c(C=O)cc1CC
InChIInChI=1S/C11H14O3/c1-3-8-5-9(7-12)10(13)6-11(8)14-4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyBARVPKGFPCJKKR-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.17
Rot. Bonds4

About 4-ethoxy-5-ethyl-2-hydroxybenzaldehyde

4-ethoxy-5-ethyl-2-hydroxybenzaldehyde (PubChem CID 22039501) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-ethoxy-5-ethyl-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
PubChem CID22039501
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
SMILESCCOc1cc(O)c(C=O)cc1CC
InChIInChI=1S/C11H14O3/c1-3-8-5-9(7-12)10(13)6-11(8)14-4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyBARVPKGFPCJKKR-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 163641356
1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone
CID 171033647
2-ethoxy-4,6-dihydroxybenzaldehyde
CID 130024854
4-ethoxy-2,3-dihydroxybenzaldehyde
CID 44887021
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
6-ethoxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
CID 135381089
3-ethoxy-4-formylbenzoic acid
CID 21100742
4-ethoxy-3-ethyl-6-hydroxy-2-methoxybenzaldehyde
CID 121014751
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
5-acetyl-4-bromo-2-ethoxybenzaldehyde
CID 171001056

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-ethyl-2-hydroxybenzaldehyde?
The IUPAC name of 4-ethoxy-5-ethyl-2-hydroxybenzaldehyde (CID 22039501) is 4-ethoxy-5-ethyl-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-ethoxy-5-ethyl-2-hydroxybenzaldehyde?
The canonical SMILES for 4-ethoxy-5-ethyl-2-hydroxybenzaldehyde is CCOc1cc(O)c(C=O)cc1CC.
What is the InChIKey of 4-ethoxy-5-ethyl-2-hydroxybenzaldehyde?
The InChIKey is BARVPKGFPCJKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-8-5-9(7-12)10(13)6-11(8)14-4-2/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-5-ethyl-2-hydroxybenzaldehyde?
4-ethoxy-5-ethyl-2-hydroxybenzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-ethyl-2-hydroxybenzaldehyde is sourced from PubChem (CID 22039501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).