2-(hydroperoxymethyl)-5-methylphenol

C8H10O3 — CID 21351355

IUPAC2-(hydroperoxymethyl)-5-methylphenol
SMILESCc1ccc(COO)c(O)c1
InChIInChI=1S/C8H10O3/c1-6-2-3-7(5-11-10)8(9)4-6/h2-4,9-10H,5H2,1H3
InChIKeyLTHDZTVTKDBCGH-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.69
Rot. Bonds2

About 2-(hydroperoxymethyl)-5-methylphenol

2-(hydroperoxymethyl)-5-methylphenol (PubChem CID 21351355) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-(hydroperoxymethyl)-5-methylphenol.

Molecular Properties

Compound Name2-(hydroperoxymethyl)-5-methylphenol
PubChem CID21351355
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-(hydroperoxymethyl)-5-methylphenol
SMILESCc1ccc(COO)c(O)c1
InChIInChI=1S/C8H10O3/c1-6-2-3-7(5-11-10)8(9)4-6/h2-4,9-10H,5H2,1H3
InChIKeyLTHDZTVTKDBCGH-UHFFFAOYSA-N
XLogP1.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
ethane;2-ethyl-5-methylphenol
CID 142001660
2-[(4-bromophenoxy)methyl]-5-methylphenol
CID 117221239
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
2-[(2-bromophenoxy)methyl]-5-methylphenol
CID 117221024
(2-hydroxy-4-methylphenyl)methylboronic acid
CID 57416355
2-(2-aminoethyl)-5-methylphenol
CID 55254754
1-[2-(hydroperoxymethyl)-5-methylphenyl]-2-methylpropan-1-one
CID 144733132
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221012
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
2-(ethylsulfanylmethyl)-5-methylphenol
CID 14452460
1-chloro-3-(2-hydroxy-4-methylphenyl)propan-2-one
CID 130895679

Frequently Asked Questions

What is the IUPAC name of 2-(hydroperoxymethyl)-5-methylphenol?
The IUPAC name of 2-(hydroperoxymethyl)-5-methylphenol (CID 21351355) is 2-(hydroperoxymethyl)-5-methylphenol.
What is the SMILES notation for 2-(hydroperoxymethyl)-5-methylphenol?
The canonical SMILES for 2-(hydroperoxymethyl)-5-methylphenol is Cc1ccc(COO)c(O)c1.
What is the InChIKey of 2-(hydroperoxymethyl)-5-methylphenol?
The InChIKey is LTHDZTVTKDBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-6-2-3-7(5-11-10)8(9)4-6/h2-4,9-10H,5H2,1H3.
What are the key properties of 2-(hydroperoxymethyl)-5-methylphenol?
2-(hydroperoxymethyl)-5-methylphenol has a molecular weight of 154.16 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroperoxymethyl)-5-methylphenol is sourced from PubChem (CID 21351355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).