ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane

C12H19ClO3S — CID 143276149

IUPACethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane
SMILESCCC.CCOC(=O)c1sc(C(C)O)cc1Cl
InChIInChI=1S/C9H11ClO3S.C3H8/c1-3-13-9(12)8-6(10)4-7(14-8)5(2)11;1-3-2/h4-5,11H,3H2,1-2H3;3H2,1-2H3
InChIKeyMMCBDMCEPYALET-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.05
Rot. Bonds3

About ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane

ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane (PubChem CID 143276149) has the molecular formula C12H19ClO3S and a molecular weight of 278.80 g/mol. Its IUPAC name is ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane.

Molecular Properties

Compound Nameethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane
PubChem CID143276149
Molecular FormulaC12H19ClO3S
Molecular Weight278.80 g/mol
Exact Mass278.07
IUPAC Nameethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane
SMILESCCC.CCOC(=O)c1sc(C(C)O)cc1Cl
InChIInChI=1S/C9H11ClO3S.C3H8/c1-3-13-9(12)8-6(10)4-7(14-8)5(2)11;1-3-2/h4-5,11H,3H2,1-2H3;3H2,1-2H3
InChIKeyMMCBDMCEPYALET-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-chloro-3-propan-2-ylthiophene-2-carboxylate
CID 154635139
ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate
CID 143276206
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 3,4,6-trichloro-1-benzothiophene-2-carboxylate
CID 132590861
ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
CID 34173292
ethyl 3,4,5-trichlorobenzoate
CID 14692896
ethyl 2,4,6-trichlorobenzoate
CID 91733956
diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
CID 155671928
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
diethyl 2,5-dichlorothiophene-3,4-dicarboxylate
CID 102280314
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane?
The IUPAC name of ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane (CID 143276149) is ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane.
What is the SMILES notation for ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane?
The canonical SMILES for ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane is CCC.CCOC(=O)c1sc(C(C)O)cc1Cl.
What is the InChIKey of ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane?
The InChIKey is MMCBDMCEPYALET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S.C3H8/c1-3-13-9(12)8-6(10)4-7(14-8)5(2)11;1-3-2/h4-5,11H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane?
ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane has a molecular weight of 278.80 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-5-(1-hydroxyethyl)thiophene-2-carboxylate;propane is sourced from PubChem (CID 143276149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).