3-(2,4-dichlorophenyl)oxetan-3-ol

C9H8Cl2O2 — CID 83690306

IUPAC3-(2,4-dichlorophenyl)oxetan-3-ol
SMILESOC1(c2ccc(Cl)cc2Cl)COC1
InChIInChI=1S/C9H8Cl2O2/c10-6-1-2-7(8(11)3-6)9(12)4-13-5-9/h1-3,12H,4-5H2
InChIKeyIEDIGWQROOEHIS-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.21
Rot. Bonds1

About 3-(2,4-dichlorophenyl)oxetan-3-ol

3-(2,4-dichlorophenyl)oxetan-3-ol (PubChem CID 83690306) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)oxetan-3-ol
PubChem CID83690306
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name3-(2,4-dichlorophenyl)oxetan-3-ol
SMILESOC1(c2ccc(Cl)cc2Cl)COC1
InChIInChI=1S/C9H8Cl2O2/c10-6-1-2-7(8(11)3-6)9(12)4-13-5-9/h1-3,12H,4-5H2
InChIKeyIEDIGWQROOEHIS-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol
CID 164649438
6-(2,4-dichlorophenyl)-2-oxaspiro[3.3]heptane-6-carbonitrile
CID 113299070
3-(4-chloro-3-pyridinyl)oxetan-3-ol
CID 86695935
4-(2,5-dichlorophenyl)oxan-4-ol
CID 63220164
(2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane
CID 173217584
2-(2,4-dichlorophenyl)-2-(trifluoromethyl)oxirane
CID 86097385
3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol
CID 90202624
2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane
CID 86098371
(2,4-dichlorophenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922633
3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid
CID 116930158
2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
CID 143933612
1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride
CID 141284433

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)oxetan-3-ol?
The IUPAC name of 3-(2,4-dichlorophenyl)oxetan-3-ol (CID 83690306) is 3-(2,4-dichlorophenyl)oxetan-3-ol.
What is the SMILES notation for 3-(2,4-dichlorophenyl)oxetan-3-ol?
The canonical SMILES for 3-(2,4-dichlorophenyl)oxetan-3-ol is OC1(c2ccc(Cl)cc2Cl)COC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)oxetan-3-ol?
The InChIKey is IEDIGWQROOEHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c10-6-1-2-7(8(11)3-6)9(12)4-13-5-9/h1-3,12H,4-5H2.
What are the key properties of 3-(2,4-dichlorophenyl)oxetan-3-ol?
3-(2,4-dichlorophenyl)oxetan-3-ol has a molecular weight of 219.07 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)oxetan-3-ol is sourced from PubChem (CID 83690306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).