benzene-1,4-diol;bis(carbonochloridic acid)

C8H8Cl2O6 — CID 88626598

IUPACbenzene-1,4-diol;bis(carbonochloridic acid)
SMILESO=C(O)Cl.O=C(O)Cl.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.2CHClO2/c7-5-1-2-6(8)4-3-5;2*2-1(3)4/h1-4,7-8H;2*(H,3,4)
InChIKeyXYCSDJRVQIDZQO-UHFFFAOYSA-N
MW271.05 g/mol
LogP2.90
Rot. Bonds

About benzene-1,4-diol;bis(carbonochloridic acid)

benzene-1,4-diol;bis(carbonochloridic acid) (PubChem CID 88626598) has the molecular formula C8H8Cl2O6 and a molecular weight of 271.05 g/mol. Its IUPAC name is benzene-1,4-diol;bis(carbonochloridic acid).

Molecular Properties

Compound Namebenzene-1,4-diol;bis(carbonochloridic acid)
PubChem CID88626598
Molecular FormulaC8H8Cl2O6
Molecular Weight271.05 g/mol
Exact Mass269.97
IUPAC Namebenzene-1,4-diol;bis(carbonochloridic acid)
SMILESO=C(O)Cl.O=C(O)Cl.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.2CHClO2/c7-5-1-2-6(8)4-3-5;2*2-1(3)4/h1-4,7-8H;2*(H,3,4)
InChIKeyXYCSDJRVQIDZQO-UHFFFAOYSA-N
XLogP2.90
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.05
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbonochloridic acid;phenol
CID 87237620
bis(benzene-1,4-diol);carbonic acid
CID 68999082
benzene-1,4-diol;carbamic acid
CID 158152403
benzene;hypochlorous acid;phenol
CID 174898371
acetyl chloride;4-phenylphenol
CID 174878083
bis(benzene-1,4-diol);carbonic acid;propane
CID 70469220
4-hydroxy(11C)benzoic acid
CID 11275035
4-(4-hydroxyphenyl)benzoyl chloride
CID 87880031
azane;hypochlorous acid;phenol
CID 159093398
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis(carbonochloridic acid)?
The IUPAC name of benzene-1,4-diol;bis(carbonochloridic acid) (CID 88626598) is benzene-1,4-diol;bis(carbonochloridic acid).
What is the SMILES notation for benzene-1,4-diol;bis(carbonochloridic acid)?
The canonical SMILES for benzene-1,4-diol;bis(carbonochloridic acid) is O=C(O)Cl.O=C(O)Cl.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;bis(carbonochloridic acid)?
The InChIKey is XYCSDJRVQIDZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.2CHClO2/c7-5-1-2-6(8)4-3-5;2*2-1(3)4/h1-4,7-8H;2*(H,3,4).
What are the key properties of benzene-1,4-diol;bis(carbonochloridic acid)?
benzene-1,4-diol;bis(carbonochloridic acid) has a molecular weight of 271.05 g/mol, XLogP of 2.90, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;bis(carbonochloridic acid) is sourced from PubChem (CID 88626598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).