(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane

C12H15BrO2 — CID 11086853

IUPAC(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
SMILESBr[C@H]1CO[C@@H](COCc2ccccc2)C1
InChIInChI=1S/C12H15BrO2/c13-11-6-12(15-8-11)9-14-7-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m1/s1
InChIKeyDSUKENWABUKFAX-VXGBXAGGSA-N
MW271.15 g/mol
LogP2.76
Rot. Bonds4

About (2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane

(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane (PubChem CID 11086853) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is (2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
PubChem CID11086853
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
SMILESBr[C@H]1CO[C@@H](COCc2ccccc2)C1
InChIInChI=1S/C12H15BrO2/c13-11-6-12(15-8-11)9-14-7-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m1/s1
InChIKeyDSUKENWABUKFAX-VXGBXAGGSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
(2S)-5-azido-2-(phenylmethoxymethyl)oxan-4-ol
CID 46862805
2-(phenylmethoxymethyl)-5-propan-2-ylmorpholine
CID 79246718
(2R,4R)-2-(2-bromoethyl)-4-(phenylmethoxymethyl)-1,3-dioxolane
CID 70623575
3-(phenylmethoxymethyl)-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]oxazepine
CID 106364286
(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane?
The IUPAC name of (2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane (CID 11086853) is (2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane is Br[C@H]1CO[C@@H](COCc2ccccc2)C1.
What is the InChIKey of (2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane?
The InChIKey is DSUKENWABUKFAX-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-11-6-12(15-8-11)9-14-7-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane?
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane has a molecular weight of 271.15 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 11086853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).