tris(3-chloro-5-methylphenyl)methanol

C22H19Cl3O — CID 10250742

IUPACtris(3-chloro-5-methylphenyl)methanol
SMILESCc1cc(Cl)cc(C(O)(c2cc(C)cc(Cl)c2)c2cc(C)cc(Cl)c2)c1
InChIInChI=1S/C22H19Cl3O/c1-13-4-16(10-19(23)7-13)22(26,17-5-14(2)8-20(24)11-17)18-6-15(3)9-21(25)12-18/h4-12,26H,1-3H3
InChIKeyGZNNLYAQIVZQLL-UHFFFAOYSA-N
MW405.75 g/mol
LogP6.86
Rot. Bonds3

About tris(3-chloro-5-methylphenyl)methanol

tris(3-chloro-5-methylphenyl)methanol (PubChem CID 10250742) has the molecular formula C22H19Cl3O and a molecular weight of 405.75 g/mol. Its IUPAC name is tris(3-chloro-5-methylphenyl)methanol.

Molecular Properties

Compound Nametris(3-chloro-5-methylphenyl)methanol
PubChem CID10250742
Molecular FormulaC22H19Cl3O
Molecular Weight405.75 g/mol
Exact Mass404.05
IUPAC Nametris(3-chloro-5-methylphenyl)methanol
SMILESCc1cc(Cl)cc(C(O)(c2cc(C)cc(Cl)c2)c2cc(C)cc(Cl)c2)c1
InChIInChI=1S/C22H19Cl3O/c1-13-4-16(10-19(23)7-13)22(26,17-5-14(2)8-20(24)11-17)18-6-15(3)9-21(25)12-18/h4-12,26H,1-3H3
InChIKeyGZNNLYAQIVZQLL-UHFFFAOYSA-N
XLogP6.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.75
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(3-chloro-5-methylphenyl)methanol?
The IUPAC name of tris(3-chloro-5-methylphenyl)methanol (CID 10250742) is tris(3-chloro-5-methylphenyl)methanol.
What is the SMILES notation for tris(3-chloro-5-methylphenyl)methanol?
The canonical SMILES for tris(3-chloro-5-methylphenyl)methanol is Cc1cc(Cl)cc(C(O)(c2cc(C)cc(Cl)c2)c2cc(C)cc(Cl)c2)c1.
What is the InChIKey of tris(3-chloro-5-methylphenyl)methanol?
The InChIKey is GZNNLYAQIVZQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3O/c1-13-4-16(10-19(23)7-13)22(26,17-5-14(2)8-20(24)11-17)18-6-15(3)9-21(25)12-18/h4-12,26H,1-3H3.
What are the key properties of tris(3-chloro-5-methylphenyl)methanol?
tris(3-chloro-5-methylphenyl)methanol has a molecular weight of 405.75 g/mol, XLogP of 6.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-chloro-5-methylphenyl)methanol is sourced from PubChem (CID 10250742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).