2-(4-chlorophenyl)-2-hydroperoxyethanol

C8H9ClO3 — CID 25136213

IUPAC2-(4-chlorophenyl)-2-hydroperoxyethanol
SMILESOCC(OO)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClO3/c9-7-3-1-6(2-4-7)8(5-10)12-11/h1-4,8,10-11H,5H2
InChIKeyDVCOQSIMGRVRCI-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.86
Rot. Bonds3

About 2-(4-chlorophenyl)-2-hydroperoxyethanol

2-(4-chlorophenyl)-2-hydroperoxyethanol (PubChem CID 25136213) has the molecular formula C8H9ClO3 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroperoxyethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroperoxyethanol
PubChem CID25136213
Molecular FormulaC8H9ClO3
Molecular Weight188.61 g/mol
Exact Mass188.02
IUPAC Name2-(4-chlorophenyl)-2-hydroperoxyethanol
SMILESOCC(OO)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClO3/c9-7-3-1-6(2-4-7)8(5-10)12-11/h1-4,8,10-11H,5H2
InChIKeyDVCOQSIMGRVRCI-UHFFFAOYSA-N
XLogP1.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.86
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

[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175035515
2-(4-chlorophenyl)-2-phenylmethoxyethanol
CID 15497795
(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol
CID 53356260
(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 67179417
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
2-(4-chlorophenyl)-3-methoxypropan-1-ol
CID 103985044
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol
CID 54755019
(2S)-2-amino-2-[4-(4-chlorophenoxy)phenyl]ethanol
CID 66516023
(1S,2R)-1-(4-chlorophenyl)-2-methylpropane-1,3-diol
CID 122579159
[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate
CID 102028117
[4-[1-(4-chlorophenyl)propoxy]phenyl]methanol
CID 70488911

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroperoxyethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroperoxyethanol (CID 25136213) is 2-(4-chlorophenyl)-2-hydroperoxyethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroperoxyethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroperoxyethanol is OCC(OO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroperoxyethanol?
The InChIKey is DVCOQSIMGRVRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3/c9-7-3-1-6(2-4-7)8(5-10)12-11/h1-4,8,10-11H,5H2.
What are the key properties of 2-(4-chlorophenyl)-2-hydroperoxyethanol?
2-(4-chlorophenyl)-2-hydroperoxyethanol has a molecular weight of 188.61 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroperoxyethanol is sourced from PubChem (CID 25136213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).