phenol;2,3,5-trichlorophenol

C12H9Cl3O2 — CID 172810083

IUPACphenol;2,3,5-trichlorophenol
SMILESOc1cc(Cl)cc(Cl)c1Cl.Oc1ccccc1
InChIInChI=1S/C6H3Cl3O.C6H6O/c7-3-1-4(8)6(9)5(10)2-3;7-6-4-2-1-3-5-6/h1-2,10H;1-5,7H
InChIKeySAZZHCIQETZZTC-UHFFFAOYSA-N
MW291.56 g/mol
LogP4.74
Rot. Bonds

About phenol;2,3,5-trichlorophenol

phenol;2,3,5-trichlorophenol (PubChem CID 172810083) has the molecular formula C12H9Cl3O2 and a molecular weight of 291.56 g/mol. Its IUPAC name is phenol;2,3,5-trichlorophenol.

Molecular Properties

Compound Namephenol;2,3,5-trichlorophenol
PubChem CID172810083
Molecular FormulaC12H9Cl3O2
Molecular Weight291.56 g/mol
Exact Mass289.97
IUPAC Namephenol;2,3,5-trichlorophenol
SMILESOc1cc(Cl)cc(Cl)c1Cl.Oc1ccccc1
InChIInChI=1S/C6H3Cl3O.C6H6O/c7-3-1-4(8)6(9)5(10)2-3;7-6-4-2-1-3-5-6/h1-2,10H;1-5,7H
InChIKeySAZZHCIQETZZTC-UHFFFAOYSA-N
XLogP4.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenol;2,3,5-trichlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,5-pentachlorobenzene;phenol
CID 159935544
2,4-dichlorophenol;phenol
CID 67451432
chlorobenzene;phenol
CID 19771485
1-chloro-3,5-dimethylbenzene;phenol
CID 158089638
benzene;hypochlorous acid;phenol
CID 174898371
2-chlorophenol;2,4,6-trichlorophenol
CID 158985831
azane;hypochlorous acid;phenol
CID 159093398
benzene;4-chloro-3,5-dimethylphenol;phenol
CID 174934171
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
phenol;chloride
CID 23313261
CID 67496590
CID 67496590

Frequently Asked Questions

What is the IUPAC name of phenol;2,3,5-trichlorophenol?
The IUPAC name of phenol;2,3,5-trichlorophenol (CID 172810083) is phenol;2,3,5-trichlorophenol.
What is the SMILES notation for phenol;2,3,5-trichlorophenol?
The canonical SMILES for phenol;2,3,5-trichlorophenol is Oc1cc(Cl)cc(Cl)c1Cl.Oc1ccccc1.
What is the InChIKey of phenol;2,3,5-trichlorophenol?
The InChIKey is SAZZHCIQETZZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3O.C6H6O/c7-3-1-4(8)6(9)5(10)2-3;7-6-4-2-1-3-5-6/h1-2,10H;1-5,7H.
What are the key properties of phenol;2,3,5-trichlorophenol?
phenol;2,3,5-trichlorophenol has a molecular weight of 291.56 g/mol, XLogP of 4.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;2,3,5-trichlorophenol is sourced from PubChem (CID 172810083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).