1-(2,4-dichlorophenyl)-2,2-diethoxyethanol

C12H16Cl2O3 — CID 114281101

IUPAC1-(2,4-dichlorophenyl)-2,2-diethoxyethanol
SMILESCCOC(OCC)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O3/c1-3-16-12(17-4-2)11(15)9-6-5-8(13)7-10(9)14/h5-7,11-12,15H,3-4H2,1-2H3
InChIKeyVZAUUTVHXFMXLN-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.43
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol

1-(2,4-dichlorophenyl)-2,2-diethoxyethanol (PubChem CID 114281101) has the molecular formula C12H16Cl2O3 and a molecular weight of 279.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2,2-diethoxyethanol
PubChem CID114281101
Molecular FormulaC12H16Cl2O3
Molecular Weight279.16 g/mol
Exact Mass278.05
IUPAC Name1-(2,4-dichlorophenyl)-2,2-diethoxyethanol
SMILESCCOC(OCC)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O3/c1-3-16-12(17-4-2)11(15)9-6-5-8(13)7-10(9)14/h5-7,11-12,15H,3-4H2,1-2H3
InChIKeyVZAUUTVHXFMXLN-UHFFFAOYSA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol 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-Dichloro-alpha-methylbenzenemethanol
CID 92889
1,3-Dioxolane-4-methanol, 2-(p-chlorophenyl)-
CID 52848
(1R)-1-(2,4-dichlorophenyl)ethan-1-ol
CID 6950773
2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol
CID 11970554
6-[1-(2,4-Dichlorophenyl)ethenyl]-3,3-dimethyl-1,2,4-trioxane
CID 166627232
1-(2,4-Dichlorophenyl)undeca-2,4-diyne-1,6-diol
CID 142726640
2-(4-Chlorophenyl)-2-methyl-1,3-dioxolane-4-methanol
CID 14573
1,3-Dioxolane-4-methanol, 2-(p-chlorophenyl)-2-ethyl-
CID 16635
(1S)-1-(2,4-dichlorophenyl)ethan-1-ol
CID 6950772
2-(2,4-Dichlorophenyl)-1,3-dioxolane
CID 228659
2-(2,4-Dichlorophenyl)-2-methyl-4-propyl-1,3-dioxolane
CID 4263642
1-(2,6-Dichlorophenyl)ethanol
CID 103731

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol (CID 114281101) is 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol is CCOC(OCC)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol?
The InChIKey is VZAUUTVHXFMXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O3/c1-3-16-12(17-4-2)11(15)9-6-5-8(13)7-10(9)14/h5-7,11-12,15H,3-4H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol?
1-(2,4-dichlorophenyl)-2,2-diethoxyethanol has a molecular weight of 279.16 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2,2-diethoxyethanol is sourced from PubChem (CID 114281101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).