4-methoxy-3,5-bis(methylperoxy)phenol

C9H12O6 — CID 174710880

IUPAC4-methoxy-3,5-bis(methylperoxy)phenol
SMILESCOOc1cc(O)cc(OOC)c1OC
InChIInChI=1S/C9H12O6/c1-11-9-7(14-12-2)4-6(10)5-8(9)15-13-3/h4-5,10H,1-3H3
InChIKeyRLBXTZGXXOEQPK-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.28
Rot. Bonds5

About 4-methoxy-3,5-bis(methylperoxy)phenol

4-methoxy-3,5-bis(methylperoxy)phenol (PubChem CID 174710880) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is 4-methoxy-3,5-bis(methylperoxy)phenol.

Molecular Properties

Compound Name4-methoxy-3,5-bis(methylperoxy)phenol
PubChem CID174710880
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name4-methoxy-3,5-bis(methylperoxy)phenol
SMILESCOOc1cc(O)cc(OOC)c1OC
InChIInChI=1S/C9H12O6/c1-11-9-7(14-12-2)4-6(10)5-8(9)15-13-3/h4-5,10H,1-3H3
InChIKeyRLBXTZGXXOEQPK-UHFFFAOYSA-N
XLogP1.28
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-4,5-dimethoxyphenol
CID 117279442
4-methoxy-3,5-dimethylphenol
CID 643378
3-(2-aminoethyl)-4,5-dimethoxyphenol
CID 117287027
4-bromo-3,5-dimethoxyphenol
CID 14339099
4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol
CID 14993626
3-chloro-5-ethoxy-4-methoxyphenol
CID 121210329
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363
4-chloro-5-methoxybenzene-1,3-diol
CID 130033872
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
4,9-dimethoxyphenazine-2,7-diol
CID 146380846
phenol;1,2,3-trimethoxybenzene
CID 174871155
4-hydroxy-3-methylperoxybenzaldehyde
CID 131965744

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-bis(methylperoxy)phenol?
The IUPAC name of 4-methoxy-3,5-bis(methylperoxy)phenol (CID 174710880) is 4-methoxy-3,5-bis(methylperoxy)phenol.
What is the SMILES notation for 4-methoxy-3,5-bis(methylperoxy)phenol?
The canonical SMILES for 4-methoxy-3,5-bis(methylperoxy)phenol is COOc1cc(O)cc(OOC)c1OC.
What is the InChIKey of 4-methoxy-3,5-bis(methylperoxy)phenol?
The InChIKey is RLBXTZGXXOEQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O6/c1-11-9-7(14-12-2)4-6(10)5-8(9)15-13-3/h4-5,10H,1-3H3.
What are the key properties of 4-methoxy-3,5-bis(methylperoxy)phenol?
4-methoxy-3,5-bis(methylperoxy)phenol has a molecular weight of 216.19 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-bis(methylperoxy)phenol is sourced from PubChem (CID 174710880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).