2-amino-3-ethoxy-4-hydroxybenzaldehyde

C9H11NO3 — CID 90458894

IUPAC2-amino-3-ethoxy-4-hydroxybenzaldehyde
SMILESCCOc1c(O)ccc(C=O)c1N
InChIInChI=1S/C9H11NO3/c1-2-13-9-7(12)4-3-6(5-11)8(9)10/h3-5,12H,2,10H2,1H3
InChIKeyHGLFHWPOXOIDND-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.19
Rot. Bonds3

About 2-amino-3-ethoxy-4-hydroxybenzaldehyde

2-amino-3-ethoxy-4-hydroxybenzaldehyde (PubChem CID 90458894) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-3-ethoxy-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-amino-3-ethoxy-4-hydroxybenzaldehyde
PubChem CID90458894
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-amino-3-ethoxy-4-hydroxybenzaldehyde
SMILESCCOc1c(O)ccc(C=O)c1N
InChIInChI=1S/C9H11NO3/c1-2-13-9-7(12)4-3-6(5-11)8(9)10/h3-5,12H,2,10H2,1H3
InChIKeyHGLFHWPOXOIDND-UHFFFAOYSA-N
XLogP1.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
2,3-diethyl-4-hydroxybenzaldehyde
CID 88956337
4-ethoxy-2,3-dihydroxybenzaldehyde
CID 44887021
4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
CID 22039501
4-chloro-2-ethoxy-3-fluorobenzaldehyde
CID 163198085
3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 163641356
2,3-diethoxy-4-pyrrol-1-ylbenzaldehyde
CID 87311944
4,6,7-trihydroxynaphthalene-1-carbaldehyde
CID 45092952
6-amino-5-ethoxynaphthalen-1-ol
CID 130017949
2,4-diethoxy-3-methylphenol
CID 11030728

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethoxy-4-hydroxybenzaldehyde?
The IUPAC name of 2-amino-3-ethoxy-4-hydroxybenzaldehyde (CID 90458894) is 2-amino-3-ethoxy-4-hydroxybenzaldehyde.
What is the SMILES notation for 2-amino-3-ethoxy-4-hydroxybenzaldehyde?
The canonical SMILES for 2-amino-3-ethoxy-4-hydroxybenzaldehyde is CCOc1c(O)ccc(C=O)c1N.
What is the InChIKey of 2-amino-3-ethoxy-4-hydroxybenzaldehyde?
The InChIKey is HGLFHWPOXOIDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-13-9-7(12)4-3-6(5-11)8(9)10/h3-5,12H,2,10H2,1H3.
What are the key properties of 2-amino-3-ethoxy-4-hydroxybenzaldehyde?
2-amino-3-ethoxy-4-hydroxybenzaldehyde has a molecular weight of 181.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethoxy-4-hydroxybenzaldehyde is sourced from PubChem (CID 90458894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).