(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone

C10H11BrO2S — CID 114824828

IUPAC(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)c2sccc2Br)CO1
InChIInChI=1S/C10H11BrO2S/c1-6-4-7(5-13-6)9(12)10-8(11)2-3-14-10/h2-3,6-7H,4-5H2,1H3
InChIKeyKOIZFHBCJIOZJB-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.12
Rot. Bonds2

About (3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone

(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114824828) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
PubChem CID114824828
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)c2sccc2Br)CO1
InChIInChI=1S/C10H11BrO2S/c1-6-4-7(5-13-6)9(12)10-8(11)2-3-14-10/h2-3,6-7H,4-5H2,1H3
InChIKeyKOIZFHBCJIOZJB-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824833
(2-bromo-4-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824771
(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80535009
(2-bromo-4,6-dimethoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824821
(4-iodophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824694
(5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824826
(3-bromothiophen-2-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 116561355
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
CID 114965478
3-bromothiophene-2-carbonyl chloride
CID 2797569
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824778

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone (CID 114824828) is (3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)c2sccc2Br)CO1.
What is the InChIKey of (3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is KOIZFHBCJIOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c1-6-4-7(5-13-6)9(12)10-8(11)2-3-14-10/h2-3,6-7H,4-5H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 275.17 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).