3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol

C10H10Cl2O2 — CID 164649436

IUPAC3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol
SMILESOC1(Cc2c(Cl)cccc2Cl)COC1
InChIInChI=1S/C10H10Cl2O2/c11-8-2-1-3-9(12)7(8)4-10(13)5-14-6-10/h1-3,13H,4-6H2
InChIKeyIQQKXWWLBBIYOH-UHFFFAOYSA-N
MW233.09 g/mol
LogP2.30
Rot. Bonds2

About 3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol

3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol (PubChem CID 164649436) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol
PubChem CID164649436
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol
SMILESOC1(Cc2c(Cl)cccc2Cl)COC1
InChIInChI=1S/C10H10Cl2O2/c11-8-2-1-3-9(12)7(8)4-10(13)5-14-6-10/h1-3,13H,4-6H2
InChIKeyIQQKXWWLBBIYOH-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol (CID 164649436) is 3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol is OC1(Cc2c(Cl)cccc2Cl)COC1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol?
The InChIKey is IQQKXWWLBBIYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c11-8-2-1-3-9(12)7(8)4-10(13)5-14-6-10/h1-3,13H,4-6H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol?
3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol has a molecular weight of 233.09 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol is sourced from PubChem (CID 164649436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).