4-aminophenol;2-(4-formylphenoxy)acetic acid

C15H15NO5 — CID 88661366

IUPAC4-aminophenol;2-(4-formylphenoxy)acetic acid
SMILESNc1ccc(O)cc1.O=Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C9H8O4.C6H7NO/c10-5-7-1-3-8(4-2-7)13-6-9(11)12;7-5-1-3-6(8)4-2-5/h1-5H,6H2,(H,11,12);1-4,8H,7H2
InChIKeyWSNSILRWFDHICA-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.94
Rot. Bonds4

About 4-aminophenol;2-(4-formylphenoxy)acetic acid

4-aminophenol;2-(4-formylphenoxy)acetic acid (PubChem CID 88661366) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-aminophenol;2-(4-formylphenoxy)acetic acid.

Molecular Properties

Compound Name4-aminophenol;2-(4-formylphenoxy)acetic acid
PubChem CID88661366
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name4-aminophenol;2-(4-formylphenoxy)acetic acid
SMILESNc1ccc(O)cc1.O=Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C9H8O4.C6H7NO/c10-5-7-1-3-8(4-2-7)13-6-9(11)12;7-5-1-3-6(8)4-2-5/h1-5H,6H2,(H,11,12);1-4,8H,7H2
InChIKeyWSNSILRWFDHICA-UHFFFAOYSA-N
XLogP1.94
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-aminophenol;2-(4-formylphenoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid
CID 75052814
2-(4-formylphenoxy)acetic acid;2-(4-formylphenoxy)-N-propylacetamide
CID 159419255
2-[4-[(E)-3-amino-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 170876536
2-[3-(carboxymethoxy)-5-formylphenoxy]acetic acid
CID 57316447
4-aminobenzaldehyde
CID 174906134
4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid
CID 88605667
4-(4-bromobutoxy)benzaldehyde;4-hydroxybenzaldehyde
CID 162220767
(4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate
CID 142024607
acetic acid;4-hydroxybenzaldehyde
CID 86610069
2-[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]acetic acid
CID 5377973
4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
CID 69438444
propyl 2-(4-formylphenoxy)acetate
CID 17245126

Frequently Asked Questions

What is the IUPAC name of 4-aminophenol;2-(4-formylphenoxy)acetic acid?
The IUPAC name of 4-aminophenol;2-(4-formylphenoxy)acetic acid (CID 88661366) is 4-aminophenol;2-(4-formylphenoxy)acetic acid.
What is the SMILES notation for 4-aminophenol;2-(4-formylphenoxy)acetic acid?
The canonical SMILES for 4-aminophenol;2-(4-formylphenoxy)acetic acid is Nc1ccc(O)cc1.O=Cc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 4-aminophenol;2-(4-formylphenoxy)acetic acid?
The InChIKey is WSNSILRWFDHICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4.C6H7NO/c10-5-7-1-3-8(4-2-7)13-6-9(11)12;7-5-1-3-6(8)4-2-5/h1-5H,6H2,(H,11,12);1-4,8H,7H2.
What are the key properties of 4-aminophenol;2-(4-formylphenoxy)acetic acid?
4-aminophenol;2-(4-formylphenoxy)acetic acid has a molecular weight of 289.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminophenol;2-(4-formylphenoxy)acetic acid is sourced from PubChem (CID 88661366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).