(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane

C17H17BrO — CID 125472906

IUPAC(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane
SMILESBrC[C@@H]1C[C@@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H17BrO/c18-12-15-11-16(13-7-3-1-4-8-13)17(19-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-,17-/m0/s1
InChIKeyOMMHBRGGHVERJP-ULQDDVLXSA-N
MW317.23 g/mol
LogP4.70
Rot. Bonds3

About (2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane

(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane (PubChem CID 125472906) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane.

Molecular Properties

Compound Name(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane
PubChem CID125472906
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane
SMILESBrC[C@@H]1C[C@@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H17BrO/c18-12-15-11-16(13-7-3-1-4-8-13)17(19-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-,17-/m0/s1
InChIKeyOMMHBRGGHVERJP-ULQDDVLXSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.70
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,4R,6R)-4-(bromomethyl)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 101273830
(2S,4S,6R)-4-(bromomethyl)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 101273827
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977
N-methyl-1-[(2S,4R,5S)-4-phenyl-5-pyridin-3-yloxolan-2-yl]methanamine
CID 125485994
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(2R,3R,6S)-6-methyl-2,3-diphenyloxane
CID 71654456
5-(bromomethyl)-4-phenyloxolan-2-one
CID 59051964
[2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene
CID 116518517
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
2-[(2R,4S,5R)-4-iodo-5-phenyloxolan-2-yl]acetic acid
CID 15441068
2-(3-bromopropyl)-3-phenyloxirane
CID 134870798

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane?
The IUPAC name of (2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane (CID 125472906) is (2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane.
What is the SMILES notation for (2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane?
The canonical SMILES for (2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane is BrC[C@@H]1C[C@@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane?
The InChIKey is OMMHBRGGHVERJP-ULQDDVLXSA-N. The full InChI is InChI=1S/C17H17BrO/c18-12-15-11-16(13-7-3-1-4-8-13)17(19-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-,17-/m0/s1.
What are the key properties of (2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane?
(2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane has a molecular weight of 317.23 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(bromomethyl)-2,3-diphenyloxolane is sourced from PubChem (CID 125472906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).