3-[(3-bromophenyl)methyl]oxetan-3-ol

C10H11BrO2 — CID 164643776

IUPAC3-[(3-bromophenyl)methyl]oxetan-3-ol
SMILESOC1(Cc2cccc(Br)c2)COC1
InChIInChI=1S/C10H11BrO2/c11-9-3-1-2-8(4-9)5-10(12)6-13-7-10/h1-4,12H,5-7H2
InChIKeyDAXUAZBIGFIYFL-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.75
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]oxetan-3-ol

3-[(3-bromophenyl)methyl]oxetan-3-ol (PubChem CID 164643776) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]oxetan-3-ol
PubChem CID164643776
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name3-[(3-bromophenyl)methyl]oxetan-3-ol
SMILESOC1(Cc2cccc(Br)c2)COC1
InChIInChI=1S/C10H11BrO2/c11-9-3-1-2-8(4-9)5-10(12)6-13-7-10/h1-4,12H,5-7H2
InChIKeyDAXUAZBIGFIYFL-UHFFFAOYSA-N
XLogP1.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 60797544
3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol
CID 164649441
6-[(3-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331771
1-[2-(3-bromophenyl)ethyl]cyclopropan-1-ol
CID 84702390
4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol
CID 65077307
1-[2-(3-bromophenyl)ethyl]cyclopentan-1-ol
CID 115073744
1-[(3-bromophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65094519
4-[(3-bromophenyl)methyl]-1-propylazepan-4-ol
CID 65078059
3-[(3-bromophenyl)methyl]-3-chlorothietane
CID 123511123
3-[(3-aminophenyl)methyl]oxan-3-ol
CID 105460368
3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol
CID 164649436
2-[(3-bromophenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
CID 117227260

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]oxetan-3-ol?
The IUPAC name of 3-[(3-bromophenyl)methyl]oxetan-3-ol (CID 164643776) is 3-[(3-bromophenyl)methyl]oxetan-3-ol.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]oxetan-3-ol?
The canonical SMILES for 3-[(3-bromophenyl)methyl]oxetan-3-ol is OC1(Cc2cccc(Br)c2)COC1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]oxetan-3-ol?
The InChIKey is DAXUAZBIGFIYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c11-9-3-1-2-8(4-9)5-10(12)6-13-7-10/h1-4,12H,5-7H2.
What are the key properties of 3-[(3-bromophenyl)methyl]oxetan-3-ol?
3-[(3-bromophenyl)methyl]oxetan-3-ol has a molecular weight of 243.10 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]oxetan-3-ol is sourced from PubChem (CID 164643776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).