oxan-4-yl 2-(4-hydroxyanilino)acetate

C13H17NO4 — CID 61287147

IUPACoxan-4-yl 2-(4-hydroxyanilino)acetate
SMILESO=C(CNc1ccc(O)cc1)OC1CCOCC1
InChIInChI=1S/C13H17NO4/c15-11-3-1-10(2-4-11)14-9-13(16)18-12-5-7-17-8-6-12/h1-4,12,14-15H,5-9H2
InChIKeyFYDWFAVHRBWDFN-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.53
Rot. Bonds4

About oxan-4-yl 2-(4-hydroxyanilino)acetate

oxan-4-yl 2-(4-hydroxyanilino)acetate (PubChem CID 61287147) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is oxan-4-yl 2-(4-hydroxyanilino)acetate.

Molecular Properties

Compound Nameoxan-4-yl 2-(4-hydroxyanilino)acetate
PubChem CID61287147
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameoxan-4-yl 2-(4-hydroxyanilino)acetate
SMILESO=C(CNc1ccc(O)cc1)OC1CCOCC1
InChIInChI=1S/C13H17NO4/c15-11-3-1-10(2-4-11)14-9-13(16)18-12-5-7-17-8-6-12/h1-4,12,14-15H,5-9H2
InChIKeyFYDWFAVHRBWDFN-UHFFFAOYSA-N
XLogP1.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl 2-(4-methylanilino)acetate
CID 62217583
oxan-4-yl 5-(4-hydroxyphenyl)-5-methylhexanoate
CID 19864992
cycloheptyl 2-anilinoacetate
CID 61303915
oxan-4-yl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437004
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
propan-2-yl 2-(4-hydroxyanilino)acetate
CID 22630318
oxan-4-yl 2-(4-aminophenyl)acetate
CID 61286946
(3-methylcyclohexyl) 2-(4-chloroanilino)acetate
CID 61303304
azane;2-(4-hydroxyanilino)acetic acid
CID 70465187
2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267
oxolan-3-yl 4-(2-hydroxyethylamino)benzoate
CID 55212550
cyclobutyl 3-anilinopropanoate
CID 62217585

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 2-(4-hydroxyanilino)acetate?
The IUPAC name of oxan-4-yl 2-(4-hydroxyanilino)acetate (CID 61287147) is oxan-4-yl 2-(4-hydroxyanilino)acetate.
What is the SMILES notation for oxan-4-yl 2-(4-hydroxyanilino)acetate?
The canonical SMILES for oxan-4-yl 2-(4-hydroxyanilino)acetate is O=C(CNc1ccc(O)cc1)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 2-(4-hydroxyanilino)acetate?
The InChIKey is FYDWFAVHRBWDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-11-3-1-10(2-4-11)14-9-13(16)18-12-5-7-17-8-6-12/h1-4,12,14-15H,5-9H2.
What are the key properties of oxan-4-yl 2-(4-hydroxyanilino)acetate?
oxan-4-yl 2-(4-hydroxyanilino)acetate has a molecular weight of 251.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 2-(4-hydroxyanilino)acetate is sourced from PubChem (CID 61287147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).