methyl 2-(3-hydroxythiophen-2-yl)acetate

C7H8O3S — CID 19356367

IUPACmethyl 2-(3-hydroxythiophen-2-yl)acetate
SMILESCOC(=O)Cc1sccc1O
InChIInChI=1S/C7H8O3S/c1-10-7(9)4-6-5(8)2-3-11-6/h2-3,8H,4H2,1H3
InChIKeyYWRCFMIGKGGSEN-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.17
Rot. Bonds2

About methyl 2-(3-hydroxythiophen-2-yl)acetate

methyl 2-(3-hydroxythiophen-2-yl)acetate (PubChem CID 19356367) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is methyl 2-(3-hydroxythiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxythiophen-2-yl)acetate
PubChem CID19356367
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Namemethyl 2-(3-hydroxythiophen-2-yl)acetate
SMILESCOC(=O)Cc1sccc1O
InChIInChI=1S/C7H8O3S/c1-10-7(9)4-6-5(8)2-3-11-6/h2-3,8H,4H2,1H3
InChIKeyYWRCFMIGKGGSEN-UHFFFAOYSA-N
XLogP1.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxythiophen-2-yl)acetate?
The IUPAC name of methyl 2-(3-hydroxythiophen-2-yl)acetate (CID 19356367) is methyl 2-(3-hydroxythiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-hydroxythiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(3-hydroxythiophen-2-yl)acetate is COC(=O)Cc1sccc1O.
What is the InChIKey of methyl 2-(3-hydroxythiophen-2-yl)acetate?
The InChIKey is YWRCFMIGKGGSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c1-10-7(9)4-6-5(8)2-3-11-6/h2-3,8H,4H2,1H3.
What are the key properties of methyl 2-(3-hydroxythiophen-2-yl)acetate?
methyl 2-(3-hydroxythiophen-2-yl)acetate has a molecular weight of 172.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxythiophen-2-yl)acetate is sourced from PubChem (CID 19356367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).