bis(2,3,4,5,6-pentachlorophenyl)methanone

C13Cl10O — CID 10324599

IUPACbis(2,3,4,5,6-pentachlorophenyl)methanone
SMILESO=C(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C13Cl10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17
InChIKeyMVBPMCSASZVJFA-UHFFFAOYSA-N
MW526.67 g/mol
LogP9.45
Rot. Bonds2

About bis(2,3,4,5,6-pentachlorophenyl)methanone

bis(2,3,4,5,6-pentachlorophenyl)methanone (PubChem CID 10324599) has the molecular formula C13Cl10O and a molecular weight of 526.67 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentachlorophenyl)methanone.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentachlorophenyl)methanone
PubChem CID10324599
Molecular FormulaC13Cl10O
Molecular Weight526.67 g/mol
Exact Mass521.68
IUPAC Namebis(2,3,4,5,6-pentachlorophenyl)methanone
SMILESO=C(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C13Cl10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17
InChIKeyMVBPMCSASZVJFA-UHFFFAOYSA-N
XLogP9.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.67
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze bis(2,3,4,5,6-pentachlorophenyl)methanone 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 bis(2,3,4,5,6-pentachlorophenyl)methanone?
The IUPAC name of bis(2,3,4,5,6-pentachlorophenyl)methanone (CID 10324599) is bis(2,3,4,5,6-pentachlorophenyl)methanone.
What is the SMILES notation for bis(2,3,4,5,6-pentachlorophenyl)methanone?
The canonical SMILES for bis(2,3,4,5,6-pentachlorophenyl)methanone is O=C(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of bis(2,3,4,5,6-pentachlorophenyl)methanone?
The InChIKey is MVBPMCSASZVJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13Cl10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17.
What are the key properties of bis(2,3,4,5,6-pentachlorophenyl)methanone?
bis(2,3,4,5,6-pentachlorophenyl)methanone has a molecular weight of 526.67 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentachlorophenyl)methanone is sourced from PubChem (CID 10324599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).