4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol

C20H24Cl2O3 — CID 150144706

IUPAC4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol
SMILESCCc1c(O)c(CC)c(CC)c(OOc2ccc(Cl)c(Cl)c2)c1CC
InChIInChI=1S/C20H24Cl2O3/c1-5-13-15(7-3)20(16(8-4)14(6-2)19(13)23)25-24-12-9-10-17(21)18(22)11-12/h9-11,23H,5-8H2,1-4H3
InChIKeyFDZWNUDTNRNCGB-UHFFFAOYSA-N
MW383.32 g/mol
LogP6.32
Rot. Bonds7

About 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol

4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol (PubChem CID 150144706) has the molecular formula C20H24Cl2O3 and a molecular weight of 383.32 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol
PubChem CID150144706
Molecular FormulaC20H24Cl2O3
Molecular Weight383.32 g/mol
Exact Mass382.11
IUPAC Name4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol
SMILESCCc1c(O)c(CC)c(CC)c(OOc2ccc(Cl)c(Cl)c2)c1CC
InChIInChI=1S/C20H24Cl2O3/c1-5-13-15(7-3)20(16(8-4)14(6-2)19(13)23)25-24-12-9-10-17(21)18(22)11-12/h9-11,23H,5-8H2,1-4H3
InChIKeyFDZWNUDTNRNCGB-UHFFFAOYSA-N
XLogP6.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.32
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol 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

6-chloro-2-ethyl-3-methylphenol
CID 123495023
4-chloro-2-(4-chloro-3-methylphenoxy)-3-ethylphenol
CID 91469275
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
4-chloro-2-ethyl-3-hydroxybenzoic acid
CID 174469710
(1R)-2-amino-1-(3,4-dichlorophenoxy)-1-trimethylsilylethanol
CID 159549768
(3,4-dichlorophenyl) hypoiodite
CID 142013696
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220
4-(bromomethoxy)-1,2-dichlorobenzene
CID 22961270
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
4-chloro-2,6-diethyl-3,5-dimethylphenol
CID 175454218
(3,4-dichlorophenyl) 2-chloroacetate
CID 532462
(3-amino-4-chlorophenyl) butaneperoxoate
CID 174747534

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol?
The IUPAC name of 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol (CID 150144706) is 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol.
What is the SMILES notation for 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol?
The canonical SMILES for 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol is CCc1c(O)c(CC)c(CC)c(OOc2ccc(Cl)c(Cl)c2)c1CC.
What is the InChIKey of 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol?
The InChIKey is FDZWNUDTNRNCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2O3/c1-5-13-15(7-3)20(16(8-4)14(6-2)19(13)23)25-24-12-9-10-17(21)18(22)11-12/h9-11,23H,5-8H2,1-4H3.
What are the key properties of 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol?
4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol has a molecular weight of 383.32 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)peroxy-2,3,5,6-tetraethylphenol is sourced from PubChem (CID 150144706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).