(3,4,5-trichlorophenyl)methanol

C7H5Cl3O — CID 23424143

IUPAC(3,4,5-trichlorophenyl)methanol
SMILESOCc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C7H5Cl3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2
InChIKeyHZKGTRUEBFRMNO-UHFFFAOYSA-N
MW211.47 g/mol
LogP3.14
Rot. Bonds1

About (3,4,5-trichlorophenyl)methanol

(3,4,5-trichlorophenyl)methanol (PubChem CID 23424143) has the molecular formula C7H5Cl3O and a molecular weight of 211.47 g/mol. Its IUPAC name is (3,4,5-trichlorophenyl)methanol.

Molecular Properties

Compound Name(3,4,5-trichlorophenyl)methanol
PubChem CID23424143
Molecular FormulaC7H5Cl3O
Molecular Weight211.47 g/mol
Exact Mass209.94
IUPAC Name(3,4,5-trichlorophenyl)methanol
SMILESOCc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C7H5Cl3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2
InChIKeyHZKGTRUEBFRMNO-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3,4,5-trichlorophenyl)methanol 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 (3,4,5-trichlorophenyl)methanol?
The IUPAC name of (3,4,5-trichlorophenyl)methanol (CID 23424143) is (3,4,5-trichlorophenyl)methanol.
What is the SMILES notation for (3,4,5-trichlorophenyl)methanol?
The canonical SMILES for (3,4,5-trichlorophenyl)methanol is OCc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of (3,4,5-trichlorophenyl)methanol?
The InChIKey is HZKGTRUEBFRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2.
What are the key properties of (3,4,5-trichlorophenyl)methanol?
(3,4,5-trichlorophenyl)methanol has a molecular weight of 211.47 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trichlorophenyl)methanol is sourced from PubChem (CID 23424143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).