4-amino-2,3-bis(methoxymethyl)phenol

C10H15NO3 — CID 22272770

IUPAC4-amino-2,3-bis(methoxymethyl)phenol
SMILESCOCc1c(N)ccc(O)c1COC
InChIInChI=1S/C10H15NO3/c1-13-5-7-8(6-14-2)10(12)4-3-9(7)11/h3-4,12H,5-6,11H2,1-2H3
InChIKeyGCNFLTWNXARZTN-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.27
Rot. Bonds4

About 4-amino-2,3-bis(methoxymethyl)phenol

4-amino-2,3-bis(methoxymethyl)phenol (PubChem CID 22272770) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-amino-2,3-bis(methoxymethyl)phenol.

Molecular Properties

Compound Name4-amino-2,3-bis(methoxymethyl)phenol
PubChem CID22272770
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-amino-2,3-bis(methoxymethyl)phenol
SMILESCOCc1c(N)ccc(O)c1COC
InChIInChI=1S/C10H15NO3/c1-13-5-7-8(6-14-2)10(12)4-3-9(7)11/h3-4,12H,5-6,11H2,1-2H3
InChIKeyGCNFLTWNXARZTN-UHFFFAOYSA-N
XLogP1.27
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(methoxymethyl)-3-methylphenol
CID 21099368
3-bromo-2-(methoxymethyl)aniline
CID 43349731
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CID 69421577
4-ethylsulfanyl-3-(methoxymethyl)-2-methylaniline
CID 19804747
10-(methoxymethyl)anthracen-9-ol
CID 58645182
[4-hydroxy-3-methoxy-2-(methoxymethyl)benzoyl] 4-hydroxy-3-methoxy-2-(methoxymethyl)benzoate
CID 145106296
bis(2-methoxyethyl) 3,6-dihydroxybenzene-1,2-dicarboxylate
CID 15500945
(2-amino-6-hydroxyphenyl)methyl-dimethylazanium
CID 3990239
2-(2-methoxyethyl)benzene-1,3-diol
CID 54168621
2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol
CID 55262532
4-amino-2,3-bis(oxiran-2-ylmethyl)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174652653
7-amino-8-methoxynaphthalen-2-ol
CID 115017708

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-bis(methoxymethyl)phenol?
The IUPAC name of 4-amino-2,3-bis(methoxymethyl)phenol (CID 22272770) is 4-amino-2,3-bis(methoxymethyl)phenol.
What is the SMILES notation for 4-amino-2,3-bis(methoxymethyl)phenol?
The canonical SMILES for 4-amino-2,3-bis(methoxymethyl)phenol is COCc1c(N)ccc(O)c1COC.
What is the InChIKey of 4-amino-2,3-bis(methoxymethyl)phenol?
The InChIKey is GCNFLTWNXARZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-13-5-7-8(6-14-2)10(12)4-3-9(7)11/h3-4,12H,5-6,11H2,1-2H3.
What are the key properties of 4-amino-2,3-bis(methoxymethyl)phenol?
4-amino-2,3-bis(methoxymethyl)phenol has a molecular weight of 197.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-bis(methoxymethyl)phenol is sourced from PubChem (CID 22272770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).