3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol

C10H10Cl2O2 — CID 164649438

IUPAC3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol
SMILESOC1(Cc2ccc(Cl)cc2Cl)COC1
InChIInChI=1S/C10H10Cl2O2/c11-8-2-1-7(9(12)3-8)4-10(13)5-14-6-10/h1-3,13H,4-6H2
InChIKeySJARIPOWHWJGPI-UHFFFAOYSA-N
MW233.09 g/mol
LogP2.30
Rot. Bonds2

About 3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol

3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol (PubChem CID 164649438) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol
PubChem CID164649438
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol
SMILESOC1(Cc2ccc(Cl)cc2Cl)COC1
InChIInChI=1S/C10H10Cl2O2/c11-8-2-1-7(9(12)3-8)4-10(13)5-14-6-10/h1-3,13H,4-6H2
InChIKeySJARIPOWHWJGPI-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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Related Compounds

3-[(2,4-dichlorophenyl)methyl]oxetane-3-carboxylic acid
CID 116930158
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379
3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
CID 65020052
4-[(2,4-dichlorophenyl)methyl]-2-ethyloxan-4-ol
CID 65149416
3-(2,4-dichlorophenyl)oxetan-3-ol
CID 83690306
3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol
CID 164649436
3-[(2,4-dichlorophenyl)methyl]-4-oxooxane-3-carboxylic acid
CID 106469942
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449760
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
CID 82293557
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 106798312

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol (CID 164649438) is 3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol is OC1(Cc2ccc(Cl)cc2Cl)COC1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol?
The InChIKey is SJARIPOWHWJGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c11-8-2-1-7(9(12)3-8)4-10(13)5-14-6-10/h1-3,13H,4-6H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol?
3-[(2,4-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-[(2,4-dichlorophenyl)methyl]oxetan-3-ol is sourced from PubChem (CID 164649438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).