hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol

C21H24O5 — CID 159043640

IUPAChydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
SMILESCc1ccc(O)c(-c2cc(C)ccc2O)c1.Cc1ccc(O)cc1.OO
InChIInChI=1S/C14H14O2.C7H8O.H2O2/c1-9-3-5-13(15)11(7-9)12-8-10(2)4-6-14(12)16;1-6-2-4-7(8)5-3-6;1-2/h3-8,15-16H,1-2H3;2-5,8H,1H3;1-2H
InChIKeyJWJQABXELZFXFA-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.10
Rot. Bonds1

About hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol

hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol (PubChem CID 159043640) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol.

Molecular Properties

Compound Namehydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
PubChem CID159043640
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Namehydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
SMILESCc1ccc(O)c(-c2cc(C)ccc2O)c1.Cc1ccc(O)cc1.OO
InChIInChI=1S/C14H14O2.C7H8O.H2O2/c1-9-3-5-13(15)11(7-9)12-8-10(2)4-6-14(12)16;1-6-2-4-7(8)5-3-6;1-2/h3-8,15-16H,1-2H3;2-5,8H,1H3;1-2H
InChIKeyJWJQABXELZFXFA-UHFFFAOYSA-N
XLogP5.10
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
CID 101179885
4-methylphenol
CID 70549076
2-iodo-4-methylphenol;4-methylphenol
CID 158335086
2,5-dimethylphenol;4-methylphenol
CID 67649093
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
2-(3,5-dimethylphenyl)-4-methylphenol
CID 83128988
2-(4-bromophenyl)-4-methylphenol
CID 15169349
4-(5-methyl-2-phosphanylphenyl)phenol
CID 142980688
chromium;bis(4-methylphenol);chloride
CID 172752271
4-[2-[[2-(4-hydroxyphenyl)-4-methylphenyl]methyl]-5-methylphenyl]phenol
CID 174190605

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol?
The IUPAC name of hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol (CID 159043640) is hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol.
What is the SMILES notation for hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol?
The canonical SMILES for hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol is Cc1ccc(O)c(-c2cc(C)ccc2O)c1.Cc1ccc(O)cc1.OO.
What is the InChIKey of hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol?
The InChIKey is JWJQABXELZFXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.C7H8O.H2O2/c1-9-3-5-13(15)11(7-9)12-8-10(2)4-6-14(12)16;1-6-2-4-7(8)5-3-6;1-2/h3-8,15-16H,1-2H3;2-5,8H,1H3;1-2H.
What are the key properties of hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol?
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol has a molecular weight of 356.42 g/mol, XLogP of 5.10, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol is sourced from PubChem (CID 159043640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).