tris(3-chlorophenyl)methanol

C19H13Cl3O — CID 54275078

IUPACtris(3-chlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1)(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H13Cl3O/c20-16-7-1-4-13(10-16)19(23,14-5-2-8-17(21)11-14)15-6-3-9-18(22)12-15/h1-12,23H
InChIKeyRMVVVPLKEYZOBC-UHFFFAOYSA-N
MW363.67 g/mol
LogP5.93
Rot. Bonds3

About tris(3-chlorophenyl)methanol

tris(3-chlorophenyl)methanol (PubChem CID 54275078) has the molecular formula C19H13Cl3O and a molecular weight of 363.67 g/mol. Its IUPAC name is tris(3-chlorophenyl)methanol.

Molecular Properties

Compound Nametris(3-chlorophenyl)methanol
PubChem CID54275078
Molecular FormulaC19H13Cl3O
Molecular Weight363.67 g/mol
Exact Mass362.00
IUPAC Nametris(3-chlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1)(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H13Cl3O/c20-16-7-1-4-13(10-16)19(23,14-5-2-8-17(21)11-14)15-6-3-9-18(22)12-15/h1-12,23H
InChIKeyRMVVVPLKEYZOBC-UHFFFAOYSA-N
XLogP5.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze tris(3-chlorophenyl)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 tris(3-chlorophenyl)methanol?
The IUPAC name of tris(3-chlorophenyl)methanol (CID 54275078) is tris(3-chlorophenyl)methanol.
What is the SMILES notation for tris(3-chlorophenyl)methanol?
The canonical SMILES for tris(3-chlorophenyl)methanol is OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of tris(3-chlorophenyl)methanol?
The InChIKey is RMVVVPLKEYZOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3O/c20-16-7-1-4-13(10-16)19(23,14-5-2-8-17(21)11-14)15-6-3-9-18(22)12-15/h1-12,23H.
What are the key properties of tris(3-chlorophenyl)methanol?
tris(3-chlorophenyl)methanol has a molecular weight of 363.67 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-chlorophenyl)methanol is sourced from PubChem (CID 54275078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).