1-(2,6-dichlorophenyl)ethane-1,1-diol

C8H8Cl2O2 — CID 145115898

IUPAC1-(2,6-dichlorophenyl)ethane-1,1-diol
SMILESCC(O)(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2O2/c1-8(11,12)7-5(9)3-2-4-6(7)10/h2-4,11-12H,1H3
InChIKeyIFQDGPFYWLFKPA-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.15
Rot. Bonds1

About 1-(2,6-dichlorophenyl)ethane-1,1-diol

1-(2,6-dichlorophenyl)ethane-1,1-diol (PubChem CID 145115898) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)ethane-1,1-diol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)ethane-1,1-diol
PubChem CID145115898
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name1-(2,6-dichlorophenyl)ethane-1,1-diol
SMILESCC(O)(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2O2/c1-8(11,12)7-5(9)3-2-4-6(7)10/h2-4,11-12H,1H3
InChIKeyIFQDGPFYWLFKPA-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,6-dichlorophenyl)ethane-1,1-diol 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-(2,6-dichlorophenyl)propane-2-thiol
CID 146376660
2-tert-butyl-3-chloroaniline
CID 68787063
2-(2-chlorophenyl)propan-2-ol
CID 12759846
3-chloro-2-(2-fluoropropan-2-yl)benzoic acid
CID 84682261
1,3-dichloro-2-[chloro(difluoro)methyl]benzene
CID 174643582
N-tert-butyl-2-(2,6-dichlorophenyl)-2-methylpropan-1-amine
CID 55195552
2-tert-butyl-1-chloro-3-phenylbenzene
CID 54287160
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
CID 82471989
2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 91657388
2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-2-methylbenzene;methane
CID 162057738
2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol
CID 168815198
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)ethane-1,1-diol?
The IUPAC name of 1-(2,6-dichlorophenyl)ethane-1,1-diol (CID 145115898) is 1-(2,6-dichlorophenyl)ethane-1,1-diol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)ethane-1,1-diol?
The canonical SMILES for 1-(2,6-dichlorophenyl)ethane-1,1-diol is CC(O)(O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)ethane-1,1-diol?
The InChIKey is IFQDGPFYWLFKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2/c1-8(11,12)7-5(9)3-2-4-6(7)10/h2-4,11-12H,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)ethane-1,1-diol?
1-(2,6-dichlorophenyl)ethane-1,1-diol has a molecular weight of 207.06 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)ethane-1,1-diol is sourced from PubChem (CID 145115898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).