1,2-dichloro-4-(hydroperoxymethyl)benzene

C7H6Cl2O2 — CID 166873402

IUPAC1,2-dichloro-4-(hydroperoxymethyl)benzene
SMILESOOCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2O2/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,10H,4H2
InChIKeyCLLQVNCBCFKPLH-UHFFFAOYSA-N
MW193.03 g/mol
LogP2.98
Rot. Bonds2

About 1,2-dichloro-4-(hydroperoxymethyl)benzene

1,2-dichloro-4-(hydroperoxymethyl)benzene (PubChem CID 166873402) has the molecular formula C7H6Cl2O2 and a molecular weight of 193.03 g/mol. Its IUPAC name is 1,2-dichloro-4-(hydroperoxymethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(hydroperoxymethyl)benzene
PubChem CID166873402
Molecular FormulaC7H6Cl2O2
Molecular Weight193.03 g/mol
Exact Mass191.97
IUPAC Name1,2-dichloro-4-(hydroperoxymethyl)benzene
SMILESOOCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2O2/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,10H,4H2
InChIKeyCLLQVNCBCFKPLH-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-4-(hydroperoxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
1,2-dichloro-4-(2,2-dimethylpropoxymethyl)benzene
CID 21060134
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
CID 2445979
(3,4-dichlorophenyl)methyl 3-oxobutanoate
CID 3303006
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
(3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate
CID 7997154
(3,4-dichlorophenyl)methyl 2-bromobenzoate
CID 4771233
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(hydroperoxymethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(hydroperoxymethyl)benzene (CID 166873402) is 1,2-dichloro-4-(hydroperoxymethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(hydroperoxymethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(hydroperoxymethyl)benzene is OOCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(hydroperoxymethyl)benzene?
The InChIKey is CLLQVNCBCFKPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O2/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,10H,4H2.
What are the key properties of 1,2-dichloro-4-(hydroperoxymethyl)benzene?
1,2-dichloro-4-(hydroperoxymethyl)benzene has a molecular weight of 193.03 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(hydroperoxymethyl)benzene is sourced from PubChem (CID 166873402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).