(4R)-4-(5-bromothiophen-2-yl)oxan-2-one

C9H9BrO2S — CID 25108116

IUPAC(4R)-4-(5-bromothiophen-2-yl)oxan-2-one
SMILESO=C1C[C@H](c2ccc(Br)s2)CCO1
InChIInChI=1S/C9H9BrO2S/c10-8-2-1-7(13-8)6-3-4-12-9(11)5-6/h1-2,6H,3-5H2/t6-/m1/s1
InChIKeyNEULQNQAUKQGSK-ZCFIWIBFSA-N
MW261.14 g/mol
LogP2.93
Rot. Bonds1

About (4R)-4-(5-bromothiophen-2-yl)oxan-2-one

(4R)-4-(5-bromothiophen-2-yl)oxan-2-one (PubChem CID 25108116) has the molecular formula C9H9BrO2S and a molecular weight of 261.14 g/mol. Its IUPAC name is (4R)-4-(5-bromothiophen-2-yl)oxan-2-one.

Molecular Properties

Compound Name(4R)-4-(5-bromothiophen-2-yl)oxan-2-one
PubChem CID25108116
Molecular FormulaC9H9BrO2S
Molecular Weight261.14 g/mol
Exact Mass259.95
IUPAC Name(4R)-4-(5-bromothiophen-2-yl)oxan-2-one
SMILESO=C1C[C@H](c2ccc(Br)s2)CCO1
InChIInChI=1S/C9H9BrO2S/c10-8-2-1-7(13-8)6-3-4-12-9(11)5-6/h1-2,6H,3-5H2/t6-/m1/s1
InChIKeyNEULQNQAUKQGSK-ZCFIWIBFSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-bromothiophen-2-yl)oxan-2-one?
The IUPAC name of (4R)-4-(5-bromothiophen-2-yl)oxan-2-one (CID 25108116) is (4R)-4-(5-bromothiophen-2-yl)oxan-2-one.
What is the SMILES notation for (4R)-4-(5-bromothiophen-2-yl)oxan-2-one?
The canonical SMILES for (4R)-4-(5-bromothiophen-2-yl)oxan-2-one is O=C1C[C@H](c2ccc(Br)s2)CCO1.
What is the InChIKey of (4R)-4-(5-bromothiophen-2-yl)oxan-2-one?
The InChIKey is NEULQNQAUKQGSK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9BrO2S/c10-8-2-1-7(13-8)6-3-4-12-9(11)5-6/h1-2,6H,3-5H2/t6-/m1/s1.
What are the key properties of (4R)-4-(5-bromothiophen-2-yl)oxan-2-one?
(4R)-4-(5-bromothiophen-2-yl)oxan-2-one has a molecular weight of 261.14 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-bromothiophen-2-yl)oxan-2-one is sourced from PubChem (CID 25108116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).