3-(5-bromo-2-methylphenyl)oxetan-3-ol

C10H11BrO2 — CID 116873033

IUPAC3-(5-bromo-2-methylphenyl)oxetan-3-ol
SMILESCc1ccc(Br)cc1C1(O)COC1
InChIInChI=1S/C10H11BrO2/c1-7-2-3-8(11)4-9(7)10(12)5-13-6-10/h2-4,12H,5-6H2,1H3
InChIKeyBWFYEQFXUFOIGS-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.98
Rot. Bonds1

About 3-(5-bromo-2-methylphenyl)oxetan-3-ol

3-(5-bromo-2-methylphenyl)oxetan-3-ol (PubChem CID 116873033) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenyl)oxetan-3-ol
PubChem CID116873033
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name3-(5-bromo-2-methylphenyl)oxetan-3-ol
SMILESCc1ccc(Br)cc1C1(O)COC1
InChIInChI=1S/C10H11BrO2/c1-7-2-3-8(11)4-9(7)10(12)5-13-6-10/h2-4,12H,5-6H2,1H3
InChIKeyBWFYEQFXUFOIGS-UHFFFAOYSA-N
XLogP1.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]oxetan-3-yl]methanol
CID 116875156
[1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclobutyl]methanol
CID 116875023
methyl 1-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]cyclopropane-1-carboxylate
CID 116875059
methyl 2-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]-2-methylpropanoate
CID 116873617
4-(4-bromo-2-methylphenyl)oxan-4-ol
CID 171367092
3-(5-fluoro-2-methylphenyl)oxolan-3-ol
CID 63331828
1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile
CID 83716267
methyl 1-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylate
CID 116964024
2,6-dibromo-9,10-dimethylanthracene-9,10-diol
CID 59766462
1-(2,5-dibromophenyl)-2-methylcyclopropan-1-ol
CID 114375506
3-[(5-bromo-2-methylphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959372
3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
CID 116875930

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenyl)oxetan-3-ol?
The IUPAC name of 3-(5-bromo-2-methylphenyl)oxetan-3-ol (CID 116873033) is 3-(5-bromo-2-methylphenyl)oxetan-3-ol.
What is the SMILES notation for 3-(5-bromo-2-methylphenyl)oxetan-3-ol?
The canonical SMILES for 3-(5-bromo-2-methylphenyl)oxetan-3-ol is Cc1ccc(Br)cc1C1(O)COC1.
What is the InChIKey of 3-(5-bromo-2-methylphenyl)oxetan-3-ol?
The InChIKey is BWFYEQFXUFOIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7-2-3-8(11)4-9(7)10(12)5-13-6-10/h2-4,12H,5-6H2,1H3.
What are the key properties of 3-(5-bromo-2-methylphenyl)oxetan-3-ol?
3-(5-bromo-2-methylphenyl)oxetan-3-ol has a molecular weight of 243.10 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylphenyl)oxetan-3-ol is sourced from PubChem (CID 116873033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).