[2-(trichloromethyl)phenyl]methanol

C8H7Cl3O — CID 20975681

IUPAC[2-(trichloromethyl)phenyl]methanol
SMILESOCc1ccccc1C(Cl)(Cl)Cl
InChIInChI=1S/C8H7Cl3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2
InChIKeyAJSLIASMNMUIPK-UHFFFAOYSA-N
MW225.50 g/mol
LogP3.01
Rot. Bonds1

About [2-(trichloromethyl)phenyl]methanol

[2-(trichloromethyl)phenyl]methanol (PubChem CID 20975681) has the molecular formula C8H7Cl3O and a molecular weight of 225.50 g/mol. Its IUPAC name is [2-(trichloromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(trichloromethyl)phenyl]methanol
PubChem CID20975681
Molecular FormulaC8H7Cl3O
Molecular Weight225.50 g/mol
Exact Mass223.96
IUPAC Name[2-(trichloromethyl)phenyl]methanol
SMILESOCc1ccccc1C(Cl)(Cl)Cl
InChIInChI=1S/C8H7Cl3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2
InChIKeyAJSLIASMNMUIPK-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
1-(trichloromethyl)naphthalene
CID 12791328
2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 55293123
1-chloro-2-(trichloromethyl)benzene
CID 16494
2-bis[2-(trichloromethyl)phenyl]phosphanylethyl-bis[2-(trichloromethyl)phenyl]phosphane
CID 168859958
[2-chloro-3-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 119001005
CID 137424646
CID 137424646
2-(hydroxymethyl)phenol;methane
CID 157439231
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
CID 58245623
CID 58245623
[2-[2-(hydroxymethyl)phenyl]phenyl]-diphenylmethanol
CID 102081145

Frequently Asked Questions

What is the IUPAC name of [2-(trichloromethyl)phenyl]methanol?
The IUPAC name of [2-(trichloromethyl)phenyl]methanol (CID 20975681) is [2-(trichloromethyl)phenyl]methanol.
What is the SMILES notation for [2-(trichloromethyl)phenyl]methanol?
The canonical SMILES for [2-(trichloromethyl)phenyl]methanol is OCc1ccccc1C(Cl)(Cl)Cl.
What is the InChIKey of [2-(trichloromethyl)phenyl]methanol?
The InChIKey is AJSLIASMNMUIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2.
What are the key properties of [2-(trichloromethyl)phenyl]methanol?
[2-(trichloromethyl)phenyl]methanol has a molecular weight of 225.50 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trichloromethyl)phenyl]methanol is sourced from PubChem (CID 20975681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).