[3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol

C10H11BrO4S — CID 117492183

IUPAC[3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1Br)C1COC1
InChIInChI=1S/C10H11BrO4S/c11-9-3-7(4-12)1-2-10(9)16(13,14)8-5-15-6-8/h1-3,8,12H,4-6H2
InChIKeyOQFQGPBTPMSJIL-UHFFFAOYSA-N
MW307.17 g/mol
LogP1.11
Rot. Bonds3

About [3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol

[3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol (PubChem CID 117492183) has the molecular formula C10H11BrO4S and a molecular weight of 307.17 g/mol. Its IUPAC name is [3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol
PubChem CID117492183
Molecular FormulaC10H11BrO4S
Molecular Weight307.17 g/mol
Exact Mass305.96
IUPAC Name[3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1Br)C1COC1
InChIInChI=1S/C10H11BrO4S/c11-9-3-7(4-12)1-2-10(9)16(13,14)8-5-15-6-8/h1-3,8,12H,4-6H2
InChIKeyOQFQGPBTPMSJIL-UHFFFAOYSA-N
XLogP1.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-1-ol
CID 117438220
2-bromo-4-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002108
2-(3-bromo-4-cyclopropylsulfonylphenyl)ethanamine
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(4-cyclopropylsulfonyl-3-fluorophenyl)methanol
CID 84693412
2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106001891
2-(oxetan-3-ylsulfonyl)phenol
CID 84680337
1-[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-amine
CID 117435672
[3-bromo-4-(2-ethylazepan-1-yl)sulfonylphenyl]methanol
CID 104692826
4-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 18629047
3-amino-4-(oxetan-3-ylsulfonyl)benzoic acid
CID 84805532
4-[[3-fluoro-4-(oxetan-3-ylsulfonyl)phenyl]methyl]piperidine
CID 117498748
2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide
CID 106013854

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol?
The IUPAC name of [3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol (CID 117492183) is [3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol is O=S(=O)(c1ccc(CO)cc1Br)C1COC1.
What is the InChIKey of [3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol?
The InChIKey is OQFQGPBTPMSJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4S/c11-9-3-7(4-12)1-2-10(9)16(13,14)8-5-15-6-8/h1-3,8,12H,4-6H2.
What are the key properties of [3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol?
[3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol has a molecular weight of 307.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol is sourced from PubChem (CID 117492183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).