4-hydroperoxy-2-methylbenzene-1,3-diol

C7H8O4 — CID 87370519

IUPAC4-hydroperoxy-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(OO)c1O
InChIInChI=1S/C7H8O4/c1-4-5(8)2-3-6(11-10)7(4)9/h2-3,8-10H,1H3
InChIKeyDARZBWOHKKQKDI-UHFFFAOYSA-N
MW156.14 g/mol
LogP1.26
Rot. Bonds1

About 4-hydroperoxy-2-methylbenzene-1,3-diol

4-hydroperoxy-2-methylbenzene-1,3-diol (PubChem CID 87370519) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-hydroperoxy-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-hydroperoxy-2-methylbenzene-1,3-diol
PubChem CID87370519
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name4-hydroperoxy-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(OO)c1O
InChIInChI=1S/C7H8O4/c1-4-5(8)2-3-6(11-10)7(4)9/h2-3,8-10H,1H3
InChIKeyDARZBWOHKKQKDI-UHFFFAOYSA-N
XLogP1.26
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
4-bromo-2-methylbenzene-1,3-diol
CID 15004925
3,6-dimethoxy-2-methylphenol
CID 13158257
2,3-difluoro-4-hydroperoxyphenol
CID 158823013
1-(2,4-dihydroxy-3-methylphenyl)ethylideneazanium
CID 147141238
2-methylbenzene-1,3-diol
CID 139200813
4-(2-hydroxyphenyl)-2-methylbenzene-1,3-diol
CID 101299684
4-(aminomethyl)-2-methylbenzene-1,3-diol
CID 82502588
4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol
CID 117278740
2-bromo-4-methoxy-3-methylphenol
CID 54571766
4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol
CID 70439609
2-methyl-3-phenoxybenzene-1,4-diol
CID 22159501

Frequently Asked Questions

What is the IUPAC name of 4-hydroperoxy-2-methylbenzene-1,3-diol?
The IUPAC name of 4-hydroperoxy-2-methylbenzene-1,3-diol (CID 87370519) is 4-hydroperoxy-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-hydroperoxy-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-hydroperoxy-2-methylbenzene-1,3-diol is Cc1c(O)ccc(OO)c1O.
What is the InChIKey of 4-hydroperoxy-2-methylbenzene-1,3-diol?
The InChIKey is DARZBWOHKKQKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-4-5(8)2-3-6(11-10)7(4)9/h2-3,8-10H,1H3.
What are the key properties of 4-hydroperoxy-2-methylbenzene-1,3-diol?
4-hydroperoxy-2-methylbenzene-1,3-diol has a molecular weight of 156.14 g/mol, XLogP of 1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxy-2-methylbenzene-1,3-diol is sourced from PubChem (CID 87370519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).