dideuterio-(2,4-dichlorophenyl)methanol

C7H6Cl2O — CID 71751981

IUPACdideuterio-(2,4-dichlorophenyl)methanol
SMILES[2H]C([2H])(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2/i4D2
InChIKeyDBHODFSFBXJZNY-APZFVMQVSA-N
MW179.04 g/mol
LogP2.49
Rot. Bonds1

About dideuterio-(2,4-dichlorophenyl)methanol

dideuterio-(2,4-dichlorophenyl)methanol (PubChem CID 71751981) has the molecular formula C7H6Cl2O and a molecular weight of 179.04 g/mol. Its IUPAC name is dideuterio-(2,4-dichlorophenyl)methanol.

Molecular Properties

Compound Namedideuterio-(2,4-dichlorophenyl)methanol
PubChem CID71751981
Molecular FormulaC7H6Cl2O
Molecular Weight179.04 g/mol
Exact Mass177.99
IUPAC Namedideuterio-(2,4-dichlorophenyl)methanol
SMILES[2H]C([2H])(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2/i4D2
InChIKeyDBHODFSFBXJZNY-APZFVMQVSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.04
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze dideuterio-(2,4-dichlorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dichlorophenyl)methylphosphane
CID 134447961
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride
CID 21488826
4-(2,4-dichlorophenyl)butane-1,2-diol
CID 57073476
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453
2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649
2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
CID 82181727

Frequently Asked Questions

What is the IUPAC name of dideuterio-(2,4-dichlorophenyl)methanol?
The IUPAC name of dideuterio-(2,4-dichlorophenyl)methanol (CID 71751981) is dideuterio-(2,4-dichlorophenyl)methanol.
What is the SMILES notation for dideuterio-(2,4-dichlorophenyl)methanol?
The canonical SMILES for dideuterio-(2,4-dichlorophenyl)methanol is [2H]C([2H])(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of dideuterio-(2,4-dichlorophenyl)methanol?
The InChIKey is DBHODFSFBXJZNY-APZFVMQVSA-N. The full InChI is InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2/i4D2.
What are the key properties of dideuterio-(2,4-dichlorophenyl)methanol?
dideuterio-(2,4-dichlorophenyl)methanol has a molecular weight of 179.04 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-(2,4-dichlorophenyl)methanol is sourced from PubChem (CID 71751981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).