4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid

C19H25NO6 — CID 88605667

IUPAC4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid
SMILESCCC(=O)O.CCOc1ccc(N)cc1.COc1cc(C=O)ccc1O
InChIInChI=1S/C8H11NO.C8H8O3.C3H6O2/c1-2-10-8-5-3-7(9)4-6-8;1-11-8-4-6(5-9)2-3-7(8)10;1-2-3(4)5/h3-6H,2,9H2,1H3;2-5,10H,1H3;2H2,1H3,(H,4,5)
InChIKeyFUNWWHGKEFSLOQ-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.36
Rot. Bonds5

About 4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid

4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid (PubChem CID 88605667) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid.

Molecular Properties

Compound Name4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid
PubChem CID88605667
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid
SMILESCCC(=O)O.CCOc1ccc(N)cc1.COc1cc(C=O)ccc1O
InChIInChI=1S/C8H11NO.C8H8O3.C3H6O2/c1-2-10-8-5-3-7(9)4-6-8;1-11-8-4-6(5-9)2-3-7(8)10;1-2-3(4)5/h3-6H,2,9H2,1H3;2-5,10H,1H3;2H2,1H3,(H,4,5)
InChIKeyFUNWWHGKEFSLOQ-UHFFFAOYSA-N
XLogP3.36
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 130345281
CID 130345281
3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol
CID 175369176
4-hydroxy-3-methoxybenzaldehyde;3-methylbutanoic acid
CID 134284747
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
4-ethoxy-2-methoxyphenol
CID 54107015
but-3-enoic acid;3-ethoxy-4-hydroxybenzaldehyde
CID 174907200
ethane;ethyl 4-hydroxy-3-methoxybenzoate;bis(4-hydroxy-3-methoxybenzaldehyde);methane;methyl 4-hydroxy-3-methoxybenzoate;propane
CID 159042504
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802

Frequently Asked Questions

What is the IUPAC name of 4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid?
The IUPAC name of 4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid (CID 88605667) is 4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid.
What is the SMILES notation for 4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid?
The canonical SMILES for 4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid is CCC(=O)O.CCOc1ccc(N)cc1.COc1cc(C=O)ccc1O.
What is the InChIKey of 4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid?
The InChIKey is FUNWWHGKEFSLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C8H8O3.C3H6O2/c1-2-10-8-5-3-7(9)4-6-8;1-11-8-4-6(5-9)2-3-7(8)10;1-2-3(4)5/h3-6H,2,9H2,1H3;2-5,10H,1H3;2H2,1H3,(H,4,5).
What are the key properties of 4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid?
4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid has a molecular weight of 363.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid is sourced from PubChem (CID 88605667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).