(3,4-dimethoxyphenoxy) hypochlorite

C8H9ClO4 — CID 88615367

IUPAC(3,4-dimethoxyphenoxy) hypochlorite
SMILESCOc1ccc(OOCl)cc1OC
InChIInChI=1S/C8H9ClO4/c1-10-7-4-3-6(12-13-9)5-8(7)11-2/h3-5H,1-2H3
InChIKeyRZFQJSINGUMWBJ-UHFFFAOYSA-N
MW204.61 g/mol
LogP2.17
Rot. Bonds4

About (3,4-dimethoxyphenoxy) hypochlorite

(3,4-dimethoxyphenoxy) hypochlorite (PubChem CID 88615367) has the molecular formula C8H9ClO4 and a molecular weight of 204.61 g/mol. Its IUPAC name is (3,4-dimethoxyphenoxy) hypochlorite.

Molecular Properties

Compound Name(3,4-dimethoxyphenoxy) hypochlorite
PubChem CID88615367
Molecular FormulaC8H9ClO4
Molecular Weight204.61 g/mol
Exact Mass204.02
IUPAC Name(3,4-dimethoxyphenoxy) hypochlorite
SMILESCOc1ccc(OOCl)cc1OC
InChIInChI=1S/C8H9ClO4/c1-10-7-4-3-6(12-13-9)5-8(7)11-2/h3-5H,1-2H3
InChIKeyRZFQJSINGUMWBJ-UHFFFAOYSA-N
XLogP2.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

tris(3,4-dimethoxyphenyl) borate
CID 67306182
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
(3,4-dimethoxyphenyl) acetate
CID 593001
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124
(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
ditert-butyl-bis(3,4-dimethoxyphenoxy)silane
CID 10765897
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine
CID 123451391
(2,4-dimethoxyphenyl) formate
CID 11137749
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenoxy) hypochlorite?
The IUPAC name of (3,4-dimethoxyphenoxy) hypochlorite (CID 88615367) is (3,4-dimethoxyphenoxy) hypochlorite.
What is the SMILES notation for (3,4-dimethoxyphenoxy) hypochlorite?
The canonical SMILES for (3,4-dimethoxyphenoxy) hypochlorite is COc1ccc(OOCl)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenoxy) hypochlorite?
The InChIKey is RZFQJSINGUMWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO4/c1-10-7-4-3-6(12-13-9)5-8(7)11-2/h3-5H,1-2H3.
What are the key properties of (3,4-dimethoxyphenoxy) hypochlorite?
(3,4-dimethoxyphenoxy) hypochlorite has a molecular weight of 204.61 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenoxy) hypochlorite is sourced from PubChem (CID 88615367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).