(4-chlorophenyl)-phenylmethanone dichloride

C13H9Cl3O-2 — CID 22505815

IUPAC(4-chlorophenyl)-phenylmethanone dichloride
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1.[Cl-].[Cl-]
InChIInChI=1S/C13H9ClO.2ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;;/h1-9H;2*1H/p-2
InChIKeyHNJZBMKWTCJHMU-UHFFFAOYSA-L
MW287.57 g/mol
LogP-2.42
Rot. Bonds2

About (4-chlorophenyl)-phenylmethanone dichloride

(4-chlorophenyl)-phenylmethanone dichloride (PubChem CID 22505815) has the molecular formula C13H9Cl3O-2 and a molecular weight of 287.57 g/mol. Its IUPAC name is (4-chlorophenyl)-phenylmethanone dichloride.

Molecular Properties

Compound Name(4-chlorophenyl)-phenylmethanone dichloride
PubChem CID22505815
Molecular FormulaC13H9Cl3O-2
Molecular Weight287.57 g/mol
Exact Mass285.97
IUPAC Name(4-chlorophenyl)-phenylmethanone dichloride
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1.[Cl-].[Cl-]
InChIInChI=1S/C13H9ClO.2ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;;/h1-9H;2*1H/p-2
InChIKeyHNJZBMKWTCJHMU-UHFFFAOYSA-L
XLogP-2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.57
LogP ≤ 5-2.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
diphenylmethanone
CID 3102
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;ethane
CID 158014879
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-phenylmethanone dichloride?
The IUPAC name of (4-chlorophenyl)-phenylmethanone dichloride (CID 22505815) is (4-chlorophenyl)-phenylmethanone dichloride.
What is the SMILES notation for (4-chlorophenyl)-phenylmethanone dichloride?
The canonical SMILES for (4-chlorophenyl)-phenylmethanone dichloride is O=C(c1ccccc1)c1ccc(Cl)cc1.[Cl-].[Cl-].
What is the InChIKey of (4-chlorophenyl)-phenylmethanone dichloride?
The InChIKey is HNJZBMKWTCJHMU-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9ClO.2ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;;/h1-9H;2*1H/p-2.
What are the key properties of (4-chlorophenyl)-phenylmethanone dichloride?
(4-chlorophenyl)-phenylmethanone dichloride has a molecular weight of 287.57 g/mol, XLogP of -2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-phenylmethanone dichloride is sourced from PubChem (CID 22505815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).