1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol

C8H10O — CID 177430855

IUPAC1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol
SMILES[2H]c1c([2H])c([2H])c(C([2H])C([2H])([2H])O)c([2H])c1[2H]
InChIInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/i1D,2D,3D,4D,5D,6D,7D2
InChIKeyWRMNZCZEMHIOCP-KYMWXIBHSA-N
MW130.22 g/mol
LogP1.22
Rot. Bonds2

About 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol

1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol (PubChem CID 177430855) has the molecular formula C8H10O and a molecular weight of 130.22 g/mol. Its IUPAC name is 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol.

Molecular Properties

Compound Name1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol
PubChem CID177430855
Molecular FormulaC8H10O
Molecular Weight130.22 g/mol
Exact Mass130.12
IUPAC Name1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol
SMILES[2H]c1c([2H])c([2H])c(C([2H])C([2H])([2H])O)c([2H])c1[2H]
InChIInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/i1D,2D,3D,4D,5D,6D,7D2
InChIKeyWRMNZCZEMHIOCP-KYMWXIBHSA-N
XLogP1.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol 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 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol?
The IUPAC name of 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol (CID 177430855) is 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol.
What is the SMILES notation for 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol?
The canonical SMILES for 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol is [2H]c1c([2H])c([2H])c(C([2H])C([2H])([2H])O)c([2H])c1[2H].
What is the InChIKey of 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol?
The InChIKey is WRMNZCZEMHIOCP-KYMWXIBHSA-N. The full InChI is InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/i1D,2D,3D,4D,5D,6D,7D2.
What are the key properties of 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol?
1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol has a molecular weight of 130.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethanol is sourced from PubChem (CID 177430855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).