(Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol

C9H9ClO3 — CID 167017186

IUPAC(Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol
SMILESOOC/C=C(\O)c1ccccc1Cl
InChIInChI=1S/C9H9ClO3/c10-8-4-2-1-3-7(8)9(11)5-6-13-12/h1-5,11-12H,6H2/b9-5-
InChIKeyFETVVJVCVFNKOO-UITAMQMPSA-N
MW200.62 g/mol
LogP2.73
Rot. Bonds3

About (Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol

(Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol (PubChem CID 167017186) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is (Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol
PubChem CID167017186
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name(Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol
SMILESOOC/C=C(\O)c1ccccc1Cl
InChIInChI=1S/C9H9ClO3/c10-8-4-2-1-3-7(8)9(11)5-6-13-12/h1-5,11-12H,6H2/b9-5-
InChIKeyFETVVJVCVFNKOO-UITAMQMPSA-N
XLogP2.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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[(E)-3-(2-chlorophenyl)but-2-enyl] methyl carbonate
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(E)-4-(2-chlorophenyl)pent-3-en-1-amine
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1-(5-bromopent-2-en-2-yl)-2-chlorobenzene
CID 79018892
2-chlorobenzoate;2-chlorobenzoic acid;tetrabutylazanium
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2-(2-chlorophenyl)-2-phenylethenamine
CID 174393832
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane
CID 159229035
ethyl (E)-2-(2-chlorophenyl)-4-phenylbut-2-enoate
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1-chloro-2-(1,2,2-trichloroethenyl)benzene
CID 54482380

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol?
The IUPAC name of (Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol (CID 167017186) is (Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol.
What is the SMILES notation for (Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol?
The canonical SMILES for (Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol is OOC/C=C(\O)c1ccccc1Cl.
What is the InChIKey of (Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol?
The InChIKey is FETVVJVCVFNKOO-UITAMQMPSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-8-4-2-1-3-7(8)9(11)5-6-13-12/h1-5,11-12H,6H2/b9-5-.
What are the key properties of (Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol?
(Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol has a molecular weight of 200.62 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-chlorophenyl)-3-hydroperoxyprop-1-en-1-ol is sourced from PubChem (CID 167017186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).