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

C11H14O3S — CID 114824833

IUPAC(3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone
SMILESCOc1ccsc1C(=O)C1COC(C)C1
InChIInChI=1S/C11H14O3S/c1-7-5-8(6-14-7)10(12)11-9(13-2)3-4-15-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCOEMHCYJFIZSDJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.36
Rot. Bonds3

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

(3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114824833) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is (3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone
PubChem CID114824833
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name(3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone
SMILESCOc1ccsc1C(=O)C1COC(C)C1
InChIInChI=1S/C11H14O3S/c1-7-5-8(6-14-7)10(12)11-9(13-2)3-4-15-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCOEMHCYJFIZSDJ-UHFFFAOYSA-N
XLogP2.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824828
cyclooctyl-(3-methoxythiophen-2-yl)methanone
CID 81118417
(3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone
CID 114286702
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
(2-bromo-4,6-dimethoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824821
(3-methoxythiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787276
(2-bromo-4-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824771
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
CID 114965478
2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81118525
methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate
CID 114824847
2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114965714
(4-iodophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824694

Frequently Asked Questions

What is the IUPAC name of (3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone (CID 114824833) is (3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone is COc1ccsc1C(=O)C1COC(C)C1.
What is the InChIKey of (3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is COEMHCYJFIZSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-7-5-8(6-14-7)10(12)11-9(13-2)3-4-15-11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of (3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
(3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxythiophen-2-yl)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).