(3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane

C12H15ClO5 — CID 174645892

IUPAC(3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.Oc1cccc(OCl)c1
InChIInChI=1S/C6H5ClO2.C6H10O3/c7-9-6-3-1-2-5(8)4-6;1(5-3-8-5)7-2-6-4-9-6/h1-4,8H;5-6H,1-4H2
InChIKeyPBIKEKFETYDXCI-UHFFFAOYSA-N
MW274.70 g/mol
LogP1.73
Rot. Bonds5

About (3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane

(3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174645892) has the molecular formula C12H15ClO5 and a molecular weight of 274.70 g/mol. Its IUPAC name is (3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name(3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174645892
Molecular FormulaC12H15ClO5
Molecular Weight274.70 g/mol
Exact Mass274.06
IUPAC Name(3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.Oc1cccc(OCl)c1
InChIInChI=1S/C6H5ClO2.C6H10O3/c7-9-6-3-1-2-5(8)4-6;1(5-3-8-5)7-2-6-4-9-6/h1-4,8H;5-6H,1-4H2
InChIKeyPBIKEKFETYDXCI-UHFFFAOYSA-N
XLogP1.73
TPSA63.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of (3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174645892) is (3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for (3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for (3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.Oc1cccc(OCl)c1.
What is the InChIKey of (3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is PBIKEKFETYDXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2.C6H10O3/c7-9-6-3-1-2-5(8)4-6;1(5-3-8-5)7-2-6-4-9-6/h1-4,8H;5-6H,1-4H2.
What are the key properties of (3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane?
(3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 274.70 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174645892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).