4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate

C20H28N2O8 — CID 91540464

IUPAC4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate
SMILESCOC(=O)COCNc1ccc(O)cc1.COCOCOCNc1ccc(O)cc1
InChIInChI=1S/C10H15NO4.C10H13NO4/c1-13-7-15-8-14-6-11-9-2-4-10(12)5-3-9;1-14-10(13)6-15-7-11-8-2-4-9(12)5-3-8/h2-5,11-12H,6-8H2,1H3;2-5,11-12H,6-7H2,1H3
InChIKeyORXYHLGIDDQGCL-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.31
Rot. Bonds12

About 4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate

4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate (PubChem CID 91540464) has the molecular formula C20H28N2O8 and a molecular weight of 424.45 g/mol. Its IUPAC name is 4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate.

Molecular Properties

Compound Name4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate
PubChem CID91540464
Molecular FormulaC20H28N2O8
Molecular Weight424.45 g/mol
Exact Mass424.18
IUPAC Name4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate
SMILESCOC(=O)COCNc1ccc(O)cc1.COCOCOCNc1ccc(O)cc1
InChIInChI=1S/C10H15NO4.C10H13NO4/c1-13-7-15-8-14-6-11-9-2-4-10(12)5-3-9;1-14-10(13)6-15-7-11-8-2-4-9(12)5-3-8/h2-5,11-12H,6-8H2,1H3;2-5,11-12H,6-7H2,1H3
InChIKeyORXYHLGIDDQGCL-UHFFFAOYSA-N
XLogP2.31
TPSA127.74 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate?
The IUPAC name of 4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate (CID 91540464) is 4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate.
What is the SMILES notation for 4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate?
The canonical SMILES for 4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate is COC(=O)COCNc1ccc(O)cc1.COCOCOCNc1ccc(O)cc1.
What is the InChIKey of 4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate?
The InChIKey is ORXYHLGIDDQGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4.C10H13NO4/c1-13-7-15-8-14-6-11-9-2-4-10(12)5-3-9;1-14-10(13)6-15-7-11-8-2-4-9(12)5-3-8/h2-5,11-12H,6-8H2,1H3;2-5,11-12H,6-7H2,1H3.
What are the key properties of 4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate?
4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate has a molecular weight of 424.45 g/mol, XLogP of 2.31, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxymethoxymethylamino)phenol;methyl 2-[(4-hydroxyanilino)methoxy]acetate is sourced from PubChem (CID 91540464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).