2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol

C14H9Cl5O — CID 8268

IUPAC2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
InChIKeyUOAMTSKGCBMZTC-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.60
Rot. Bonds2

About 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol

2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol (PubChem CID 8268) has the molecular formula C14H9Cl5O and a molecular weight of 370.49 g/mol. Its IUPAC name is 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
PubChem CID8268
Molecular FormulaC14H9Cl5O
Molecular Weight370.49 g/mol
Exact Mass367.91
IUPAC Name2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
InChIKeyUOAMTSKGCBMZTC-UHFFFAOYSA-N
XLogP5.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol?
The IUPAC name of 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol (CID 8268) is 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol.
What is the SMILES notation for 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol?
The canonical SMILES for 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol is OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol?
The InChIKey is UOAMTSKGCBMZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H.
What are the key properties of 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol?
2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol has a molecular weight of 370.49 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol is sourced from PubChem (CID 8268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).