2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate

C12H6Cl6O2 — CID 138395099

IUPAC2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate
SMILESO.Oc1c(Cl)c(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H4Cl6O.H2O/c13-5-3-1-2-4(7(5)14)6-8(15)10(17)12(19)11(18)9(6)16;/h1-3,19H;1H2
InChIKeyMWEJLRPHDAOKMU-UHFFFAOYSA-N
MW394.90 g/mol
LogP6.15
Rot. Bonds1

About 2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate

2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate (PubChem CID 138395099) has the molecular formula C12H6Cl6O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate
PubChem CID138395099
Molecular FormulaC12H6Cl6O2
Molecular Weight394.90 g/mol
Exact Mass391.85
IUPAC Name2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate
SMILESO.Oc1c(Cl)c(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H4Cl6O.H2O/c13-5-3-1-2-4(7(5)14)6-8(15)10(17)12(19)11(18)9(6)16;/h1-3,19H;1H2
InChIKeyMWEJLRPHDAOKMU-UHFFFAOYSA-N
XLogP6.15
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetrachloro-4-(2,4-dichloro-3-hydroxyphenyl)phenol
CID 87916848
2-chloro-6-(2,3,6-trichlorophenyl)phenol
CID 134620442
1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
CID 66251613
2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol
CID 87916879
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
2,3,5,6-tetrachloro-4-(3,4,6-trichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
CID 71749066
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol
CID 11954040
4-(2,3-dichlorophenyl)-2-fluoropyridin-3-ol
CID 118852451
2,4-bis(2,3-dichlorophenyl)-7-hydroxynaphthalene-1,3-disulfonamide
CID 69073232
potassium;2,3-dichlorophenol;hydride
CID 174676852
3-chloro-2-(2-chlorophenyl)phenol
CID 69117513

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate?
The IUPAC name of 2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate (CID 138395099) is 2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate.
What is the SMILES notation for 2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate?
The canonical SMILES for 2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate is O.Oc1c(Cl)c(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate?
The InChIKey is MWEJLRPHDAOKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl6O.H2O/c13-5-3-1-2-4(7(5)14)6-8(15)10(17)12(19)11(18)9(6)16;/h1-3,19H;1H2.
What are the key properties of 2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate?
2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate has a molecular weight of 394.90 g/mol, XLogP of 6.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate is sourced from PubChem (CID 138395099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).