(2S,5R)-2-(bromomethyl)-5-phenyloxolane

C11H13BrO — CID 23247977

IUPAC(2S,5R)-2-(bromomethyl)-5-phenyloxolane
SMILESBrC[C@@H]1CC[C@H](c2ccccc2)O1
InChIInChI=1S/C11H13BrO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
InChIKeyOFMRCAISCMLLFI-WDEREUQCSA-N
MW241.13 g/mol
LogP3.30
Rot. Bonds2

About (2S,5R)-2-(bromomethyl)-5-phenyloxolane

(2S,5R)-2-(bromomethyl)-5-phenyloxolane (PubChem CID 23247977) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is (2S,5R)-2-(bromomethyl)-5-phenyloxolane.

Molecular Properties

Compound Name(2S,5R)-2-(bromomethyl)-5-phenyloxolane
PubChem CID23247977
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name(2S,5R)-2-(bromomethyl)-5-phenyloxolane
SMILESBrC[C@@H]1CC[C@H](c2ccccc2)O1
InChIInChI=1S/C11H13BrO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
InChIKeyOFMRCAISCMLLFI-WDEREUQCSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane
CID 156851355
benzyl-dimethyl-[(5-phenyloxolan-2-yl)methyl]silane
CID 85432039
(2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane
CID 89062578
(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
CID 11425650
(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
methyl (5-phenyloxolan-2-yl)methyl carbonate
CID 21306100
(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane
CID 125472906
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 134961607
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(bromomethyl)-5-phenyloxolane?
The IUPAC name of (2S,5R)-2-(bromomethyl)-5-phenyloxolane (CID 23247977) is (2S,5R)-2-(bromomethyl)-5-phenyloxolane.
What is the SMILES notation for (2S,5R)-2-(bromomethyl)-5-phenyloxolane?
The canonical SMILES for (2S,5R)-2-(bromomethyl)-5-phenyloxolane is BrC[C@@H]1CC[C@H](c2ccccc2)O1.
What is the InChIKey of (2S,5R)-2-(bromomethyl)-5-phenyloxolane?
The InChIKey is OFMRCAISCMLLFI-WDEREUQCSA-N. The full InChI is InChI=1S/C11H13BrO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1.
What are the key properties of (2S,5R)-2-(bromomethyl)-5-phenyloxolane?
(2S,5R)-2-(bromomethyl)-5-phenyloxolane has a molecular weight of 241.13 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(bromomethyl)-5-phenyloxolane is sourced from PubChem (CID 23247977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).