2,5-dichlorophenol;2-iodophenol

C12H9Cl2IO2 — CID 70439012

IUPAC2,5-dichlorophenol;2-iodophenol
SMILESOc1cc(Cl)ccc1Cl.Oc1ccccc1I
InChIInChI=1S/C6H4Cl2O.C6H5IO/c7-4-1-2-5(8)6(9)3-4;7-5-3-1-2-4-6(5)8/h1-3,9H;1-4,8H
InChIKeyWSSFTOBITQLYCT-UHFFFAOYSA-N
MW383.01 g/mol
LogP4.70
Rot. Bonds

About 2,5-dichlorophenol;2-iodophenol

2,5-dichlorophenol;2-iodophenol (PubChem CID 70439012) has the molecular formula C12H9Cl2IO2 and a molecular weight of 383.01 g/mol. Its IUPAC name is 2,5-dichlorophenol;2-iodophenol.

Molecular Properties

Compound Name2,5-dichlorophenol;2-iodophenol
PubChem CID70439012
Molecular FormulaC12H9Cl2IO2
Molecular Weight383.01 g/mol
Exact Mass381.90
IUPAC Name2,5-dichlorophenol;2-iodophenol
SMILESOc1cc(Cl)ccc1Cl.Oc1ccccc1I
InChIInChI=1S/C6H4Cl2O.C6H5IO/c7-4-1-2-5(8)6(9)3-4;7-5-3-1-2-4-6(5)8/h1-3,9H;1-4,8H
InChIKeyWSSFTOBITQLYCT-UHFFFAOYSA-N
XLogP4.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.01
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 131883434
CID 131883434
2-iodophenol
CID 10784
2-iodophenol;3,4,5-trichlorophenol
CID 154941480
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
sodium;2,6-dichlorophenolate;2-iodophenol
CID 175356810
2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol
CID 160811430
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
1,2-dichlorobenzene;1,2,4-trichlorobenzene
CID 161216251
4-chlorobenzene-1,3-diol
CID 1731
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
2,4-dichlorophenol;phenol
CID 67451432

Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorophenol;2-iodophenol?
The IUPAC name of 2,5-dichlorophenol;2-iodophenol (CID 70439012) is 2,5-dichlorophenol;2-iodophenol.
What is the SMILES notation for 2,5-dichlorophenol;2-iodophenol?
The canonical SMILES for 2,5-dichlorophenol;2-iodophenol is Oc1cc(Cl)ccc1Cl.Oc1ccccc1I.
What is the InChIKey of 2,5-dichlorophenol;2-iodophenol?
The InChIKey is WSSFTOBITQLYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O.C6H5IO/c7-4-1-2-5(8)6(9)3-4;7-5-3-1-2-4-6(5)8/h1-3,9H;1-4,8H.
What are the key properties of 2,5-dichlorophenol;2-iodophenol?
2,5-dichlorophenol;2-iodophenol has a molecular weight of 383.01 g/mol, XLogP of 4.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorophenol;2-iodophenol is sourced from PubChem (CID 70439012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).