oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate

C11H13ClO3S — CID 56803396

IUPACoxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate
SMILESO=C(CCc1ccc(Cl)s1)OC1CCOC1
InChIInChI=1S/C11H13ClO3S/c12-10-3-1-9(16-10)2-4-11(13)15-8-5-6-14-7-8/h1,3,8H,2,4-7H2
InChIKeyLREORWLWQIGGIN-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.67
Rot. Bonds4

About oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate

oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate (PubChem CID 56803396) has the molecular formula C11H13ClO3S and a molecular weight of 260.74 g/mol. Its IUPAC name is oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate.

Molecular Properties

Compound Nameoxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate
PubChem CID56803396
Molecular FormulaC11H13ClO3S
Molecular Weight260.74 g/mol
Exact Mass260.03
IUPAC Nameoxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate
SMILESO=C(CCc1ccc(Cl)s1)OC1CCOC1
InChIInChI=1S/C11H13ClO3S/c12-10-3-1-9(16-10)2-4-11(13)15-8-5-6-14-7-8/h1,3,8H,2,4-7H2
InChIKeyLREORWLWQIGGIN-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate
CID 55771779
oxolan-3-yl 3-(3-aminophenyl)propanoate
CID 80700797
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide
CID 95632333
6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide
CID 119475922
9-(5-chlorothiophen-2-yl)nonanoate
CID 7038793
[(3R)-oxolan-3-yl] 2-chlorobenzoate
CID 95615058
1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 115758267
N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119735842
(2R)-1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 75499802
oxan-4-yl 5-(4-bromophenyl)pentanoate
CID 91646615

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate?
The IUPAC name of oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate (CID 56803396) is oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate.
What is the SMILES notation for oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate?
The canonical SMILES for oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate is O=C(CCc1ccc(Cl)s1)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate?
The InChIKey is LREORWLWQIGGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3S/c12-10-3-1-9(16-10)2-4-11(13)15-8-5-6-14-7-8/h1,3,8H,2,4-7H2.
What are the key properties of oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate?
oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate has a molecular weight of 260.74 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate is sourced from PubChem (CID 56803396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).