(3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate

C8H4Cl2O5 — CID 21396999

IUPAC(3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate
SMILESO=C(Cl)Oc1cc(O)cc(OC(=O)Cl)c1
InChIInChI=1S/C8H4Cl2O5/c9-7(12)14-5-1-4(11)2-6(3-5)15-8(10)13/h1-3,11H
InChIKeyIHUPNZLHFPHVNW-UHFFFAOYSA-N
MW251.02 g/mol
LogP2.87
Rot. Bonds2

About (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate

(3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate (PubChem CID 21396999) has the molecular formula C8H4Cl2O5 and a molecular weight of 251.02 g/mol. Its IUPAC name is (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate.

Molecular Properties

Compound Name(3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate
PubChem CID21396999
Molecular FormulaC8H4Cl2O5
Molecular Weight251.02 g/mol
Exact Mass249.94
IUPAC Name(3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate
SMILESO=C(Cl)Oc1cc(O)cc(OC(=O)Cl)c1
InChIInChI=1S/C8H4Cl2O5/c9-7(12)14-5-1-4(11)2-6(3-5)15-8(10)13/h1-3,11H
InChIKeyIHUPNZLHFPHVNW-UHFFFAOYSA-N
XLogP2.87
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.02
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate?
The IUPAC name of (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate (CID 21396999) is (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate.
What is the SMILES notation for (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate?
The canonical SMILES for (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate is O=C(Cl)Oc1cc(O)cc(OC(=O)Cl)c1.
What is the InChIKey of (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate?
The InChIKey is IHUPNZLHFPHVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O5/c9-7(12)14-5-1-4(11)2-6(3-5)15-8(10)13/h1-3,11H.
What are the key properties of (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate?
(3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate has a molecular weight of 251.02 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate is sourced from PubChem (CID 21396999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).