(2-methyl-4-thiophen-2-ylphenyl) acetate

C13H12O2S — CID 174371049

IUPAC(2-methyl-4-thiophen-2-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(-c2cccs2)cc1C
InChIInChI=1S/C13H12O2S/c1-9-8-11(13-4-3-7-16-13)5-6-12(9)15-10(2)14/h3-8H,1-2H3
InChIKeyHGQWRESAQVQIMP-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.65
Rot. Bonds2

About (2-methyl-4-thiophen-2-ylphenyl) acetate

(2-methyl-4-thiophen-2-ylphenyl) acetate (PubChem CID 174371049) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is (2-methyl-4-thiophen-2-ylphenyl) acetate.

Molecular Properties

Compound Name(2-methyl-4-thiophen-2-ylphenyl) acetate
PubChem CID174371049
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name(2-methyl-4-thiophen-2-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(-c2cccs2)cc1C
InChIInChI=1S/C13H12O2S/c1-9-8-11(13-4-3-7-16-13)5-6-12(9)15-10(2)14/h3-8H,1-2H3
InChIKeyHGQWRESAQVQIMP-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-4-thiophen-2-ylphenoxy)ethanol
CID 143820107
(4-thiophen-2-ylphenyl) acetate
CID 18387761
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680
methyl (Z)-4-hydroxy-2-(2-methyl-5-thiophen-2-ylphenoxy)but-2-enoate
CID 161416858
[2-methyl-4-(4-sulfanylidene-1,3-benzothiazin-2-yl)phenyl] acetate
CID 118509683
2,3-dimethyl-5-thiophen-2-ylphenol
CID 173292102
ethane;2-methyl-4-thiophen-2-ylaniline
CID 143928116
(4-carbonochloridoyl-2-methylphenyl) acetate
CID 88906755
(7-methyl-1-benzothiophen-4-yl) acetate
CID 119087139
(3-thiophen-2-ylthiophen-2-yl) acetate
CID 174391854
[4-(4-methoxy-3-methylphenyl)sulfinyl-2-methylphenyl] acetate
CID 89408252
ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen
CID 143928123

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-thiophen-2-ylphenyl) acetate?
The IUPAC name of (2-methyl-4-thiophen-2-ylphenyl) acetate (CID 174371049) is (2-methyl-4-thiophen-2-ylphenyl) acetate.
What is the SMILES notation for (2-methyl-4-thiophen-2-ylphenyl) acetate?
The canonical SMILES for (2-methyl-4-thiophen-2-ylphenyl) acetate is CC(=O)Oc1ccc(-c2cccs2)cc1C.
What is the InChIKey of (2-methyl-4-thiophen-2-ylphenyl) acetate?
The InChIKey is HGQWRESAQVQIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-9-8-11(13-4-3-7-16-13)5-6-12(9)15-10(2)14/h3-8H,1-2H3.
What are the key properties of (2-methyl-4-thiophen-2-ylphenyl) acetate?
(2-methyl-4-thiophen-2-ylphenyl) acetate has a molecular weight of 232.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-thiophen-2-ylphenyl) acetate is sourced from PubChem (CID 174371049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).