(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol

C10H11BrO2 — CID 23253721

IUPAC(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol
SMILESO[C@H]1O[C@@H](c2ccccc2)C[C@@H]1Br
InChIInChI=1S/C10H11BrO2/c11-8-6-9(13-10(8)12)7-4-2-1-3-5-7/h1-5,8-10,12H,6H2/t8-,9+,10-/m0/s1
InChIKeyMBQWDKHNLXFFKD-AEJSXWLSSA-N
MW243.10 g/mol
LogP2.23
Rot. Bonds1

About (2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol

(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol (PubChem CID 23253721) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol.

Molecular Properties

Compound Name(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol
PubChem CID23253721
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol
SMILESO[C@H]1O[C@@H](c2ccccc2)C[C@@H]1Br
InChIInChI=1S/C10H11BrO2/c11-8-6-9(13-10(8)12)7-4-2-1-3-5-7/h1-5,8-10,12H,6H2/t8-,9+,10-/m0/s1
InChIKeyMBQWDKHNLXFFKD-AEJSXWLSSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
CID 130149634
(1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
CID 131086080
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
4-phenyloxetane-2-carboxylic acid
CID 20744932
(2S,4S)-2-phenyloxan-4-ol
CID 67658519
(2R,3S,5R)-3-bromo-2-[(2-methylpropan-2-yl)oxy]-5-phenyloxolane
CID 23253726
(2S,5S)-4-bromo-5-methyl-2-phenyloxane
CID 102496520
(2R,4S,6R)-2-(furan-2-yl)-6-phenyloxan-4-ol
CID 44519098
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
2-phenyloxirane
CID 7276

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol?
The IUPAC name of (2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol (CID 23253721) is (2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol.
What is the SMILES notation for (2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol?
The canonical SMILES for (2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol is O[C@H]1O[C@@H](c2ccccc2)C[C@@H]1Br.
What is the InChIKey of (2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol?
The InChIKey is MBQWDKHNLXFFKD-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H11BrO2/c11-8-6-9(13-10(8)12)7-4-2-1-3-5-7/h1-5,8-10,12H,6H2/t8-,9+,10-/m0/s1.
What are the key properties of (2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol?
(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol has a molecular weight of 243.10 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol is sourced from PubChem (CID 23253721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).