ethyl acetate;thiophen-2-ylmethanol

C9H14O3S — CID 160876049

IUPACethyl acetate;thiophen-2-ylmethanol
SMILESCCOC(C)=O.OCc1cccs1
InChIInChI=1S/C5H6OS.C4H8O2/c6-4-5-2-1-3-7-5;1-3-6-4(2)5/h1-3,6H,4H2;3H2,1-2H3
InChIKeySMKDGWJPFZEXFY-UHFFFAOYSA-N
MW202.27 g/mol
LogP1.81
Rot. Bonds2

About ethyl acetate;thiophen-2-ylmethanol

ethyl acetate;thiophen-2-ylmethanol (PubChem CID 160876049) has the molecular formula C9H14O3S and a molecular weight of 202.27 g/mol. Its IUPAC name is ethyl acetate;thiophen-2-ylmethanol.

Molecular Properties

Compound Nameethyl acetate;thiophen-2-ylmethanol
PubChem CID160876049
Molecular FormulaC9H14O3S
Molecular Weight202.27 g/mol
Exact Mass202.07
IUPAC Nameethyl acetate;thiophen-2-ylmethanol
SMILESCCOC(C)=O.OCc1cccs1
InChIInChI=1S/C5H6OS.C4H8O2/c6-4-5-2-1-3-7-5;1-3-6-4(2)5/h1-3,6H,4H2;3H2,1-2H3
InChIKeySMKDGWJPFZEXFY-UHFFFAOYSA-N
XLogP1.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl acetate;2-(methoxymethyl)thiophene
CID 174707277
ethanamine;ethane;thiophen-2-ylmethanol
CID 143500491
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
ethyl (2R)-2-hydroxy-3-oxo-4-thiophen-2-ylbutanoate
CID 100936986
ethyl 3-oxo-2-(thiophen-2-ylmethyl)butanoate
CID 19009734
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
ethyl 2-(thionin-2-yl)acetate
CID 174897632
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
ethyl acetate;toluene
CID 66707740
ethyl acetate;toluene
CID 70093554
2,5-dimethylfuran;ethyl acetate
CID 174830713

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;thiophen-2-ylmethanol?
The IUPAC name of ethyl acetate;thiophen-2-ylmethanol (CID 160876049) is ethyl acetate;thiophen-2-ylmethanol.
What is the SMILES notation for ethyl acetate;thiophen-2-ylmethanol?
The canonical SMILES for ethyl acetate;thiophen-2-ylmethanol is CCOC(C)=O.OCc1cccs1.
What is the InChIKey of ethyl acetate;thiophen-2-ylmethanol?
The InChIKey is SMKDGWJPFZEXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS.C4H8O2/c6-4-5-2-1-3-7-5;1-3-6-4(2)5/h1-3,6H,4H2;3H2,1-2H3.
What are the key properties of ethyl acetate;thiophen-2-ylmethanol?
ethyl acetate;thiophen-2-ylmethanol has a molecular weight of 202.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;thiophen-2-ylmethanol is sourced from PubChem (CID 160876049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).