(2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane

C10H9Br2ClO — CID 23253730

IUPAC(2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane
SMILESClc1ccc([C@H]2C[C@H](Br)[C@H](Br)O2)cc1
InChIInChI=1S/C10H9Br2ClO/c11-8-5-9(14-10(8)12)6-1-3-7(13)4-2-6/h1-4,8-10H,5H2/t8-,9+,10+/m0/s1
InChIKeyBJAYYQQDXKZPSD-IVZWLZJFSA-N
MW340.44 g/mol
LogP4.29
Rot. Bonds1

About (2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane

(2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane (PubChem CID 23253730) has the molecular formula C10H9Br2ClO and a molecular weight of 340.44 g/mol. Its IUPAC name is (2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane.

Molecular Properties

Compound Name(2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane
PubChem CID23253730
Molecular FormulaC10H9Br2ClO
Molecular Weight340.44 g/mol
Exact Mass337.87
IUPAC Name(2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane
SMILESClc1ccc([C@H]2C[C@H](Br)[C@H](Br)O2)cc1
InChIInChI=1S/C10H9Br2ClO/c11-8-5-9(14-10(8)12)6-1-3-7(13)4-2-6/h1-4,8-10H,5H2/t8-,9+,10+/m0/s1
InChIKeyBJAYYQQDXKZPSD-IVZWLZJFSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.29
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

1-(2-bromocyclobutyl)-4-chlorobenzene
CID 68872096
(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol
CID 23253721
(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane
CID 24774784
CID 89062580
CID 89062580
5-(4-chlorophenyl)oxolane-3-carbonitrile
CID 139520495
(4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide
CID 15273377
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
3-(4-chlorophenyl)oxetane
CID 130113875
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
2-(4-chlorophenyl)oxolane;formaldehyde
CID 169170436
(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one
CID 67352258

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane?
The IUPAC name of (2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane (CID 23253730) is (2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane.
What is the SMILES notation for (2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane?
The canonical SMILES for (2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane is Clc1ccc([C@H]2C[C@H](Br)[C@H](Br)O2)cc1.
What is the InChIKey of (2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane?
The InChIKey is BJAYYQQDXKZPSD-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H9Br2ClO/c11-8-5-9(14-10(8)12)6-1-3-7(13)4-2-6/h1-4,8-10H,5H2/t8-,9+,10+/m0/s1.
What are the key properties of (2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane?
(2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane has a molecular weight of 340.44 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2,3-dibromo-5-(4-chlorophenyl)oxolane is sourced from PubChem (CID 23253730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).