tetrakis(carbonochloridic acid);diphenylmethanone

C17H14Cl4O9 — CID 173240243

IUPACtetrakis(carbonochloridic acid);diphenylmethanone
SMILESO=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.4CHClO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;4*2-1(3)4/h1-10H;4*(H,3,4)
InChIKeyWEJBKNJUEXQKCR-UHFFFAOYSA-N
MW504.10 g/mol
LogP6.53
Rot. Bonds2

About tetrakis(carbonochloridic acid);diphenylmethanone

tetrakis(carbonochloridic acid);diphenylmethanone (PubChem CID 173240243) has the molecular formula C17H14Cl4O9 and a molecular weight of 504.10 g/mol. Its IUPAC name is tetrakis(carbonochloridic acid);diphenylmethanone.

Molecular Properties

Compound Nametetrakis(carbonochloridic acid);diphenylmethanone
PubChem CID173240243
Molecular FormulaC17H14Cl4O9
Molecular Weight504.10 g/mol
Exact Mass501.94
IUPAC Nametetrakis(carbonochloridic acid);diphenylmethanone
SMILESO=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.4CHClO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;4*2-1(3)4/h1-10H;4*(H,3,4)
InChIKeyWEJBKNJUEXQKCR-UHFFFAOYSA-N
XLogP6.53
TPSA166.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.10
LogP ≤ 56.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
4-benzoylbenzenecarbothioyl chloride
CID 163969608
chloroethene;diphenylmethanone
CID 159955636
acetic acid;diphenylmethanone;hydrate
CID 161284686
2,2-dimethylpropane;diphenylmethanone
CID 159191976

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbonochloridic acid);diphenylmethanone?
The IUPAC name of tetrakis(carbonochloridic acid);diphenylmethanone (CID 173240243) is tetrakis(carbonochloridic acid);diphenylmethanone.
What is the SMILES notation for tetrakis(carbonochloridic acid);diphenylmethanone?
The canonical SMILES for tetrakis(carbonochloridic acid);diphenylmethanone is O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(O)Cl.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of tetrakis(carbonochloridic acid);diphenylmethanone?
The InChIKey is WEJBKNJUEXQKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.4CHClO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;4*2-1(3)4/h1-10H;4*(H,3,4).
What are the key properties of tetrakis(carbonochloridic acid);diphenylmethanone?
tetrakis(carbonochloridic acid);diphenylmethanone has a molecular weight of 504.10 g/mol, XLogP of 6.53, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(carbonochloridic acid);diphenylmethanone is sourced from PubChem (CID 173240243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).