(2-benzoylthiophen-3-yl)methyl acetate

C14H12O3S — CID 134109322

IUPAC(2-benzoylthiophen-3-yl)methyl acetate
SMILESCC(=O)OCc1ccsc1C(=O)c1ccccc1
InChIInChI=1S/C14H12O3S/c1-10(15)17-9-12-7-8-18-14(12)13(16)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyFPMKTALWIDBCJQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.04
Rot. Bonds4

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

(2-benzoylthiophen-3-yl)methyl acetate (PubChem CID 134109322) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is (2-benzoylthiophen-3-yl)methyl acetate.

Molecular Properties

Compound Name(2-benzoylthiophen-3-yl)methyl acetate
PubChem CID134109322
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name(2-benzoylthiophen-3-yl)methyl acetate
SMILESCC(=O)OCc1ccsc1C(=O)c1ccccc1
InChIInChI=1S/C14H12O3S/c1-10(15)17-9-12-7-8-18-14(12)13(16)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyFPMKTALWIDBCJQ-UHFFFAOYSA-N
XLogP3.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-benzoyl-2-hydroxyphenyl)methyl acetate
CID 141325026
2-amino-N-(2-benzoylthiophen-3-yl)acetamide
CID 16639900
(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone
CID 114962447
(2-acetyloxyphenyl)methyl acetate
CID 10889107
benzyl acetate
CID 8785
phenyl acetate;thiophene
CID 174909325
benzyl acetate;benzyl benzoate
CID 158805672
3-benzoylthiophene-2-carboxylate
CID 6995645
3-(2-benzoylthiophen-3-yl)-3-oxopropanoic acid
CID 19785051
ethane;(2-methylphenyl)methyl acetate
CID 143177732
[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
(2-sulfanylphenyl)methyl acetate
CID 118370744

Frequently Asked Questions

What is the IUPAC name of (2-benzoylthiophen-3-yl)methyl acetate?
The IUPAC name of (2-benzoylthiophen-3-yl)methyl acetate (CID 134109322) is (2-benzoylthiophen-3-yl)methyl acetate.
What is the SMILES notation for (2-benzoylthiophen-3-yl)methyl acetate?
The canonical SMILES for (2-benzoylthiophen-3-yl)methyl acetate is CC(=O)OCc1ccsc1C(=O)c1ccccc1.
What is the InChIKey of (2-benzoylthiophen-3-yl)methyl acetate?
The InChIKey is FPMKTALWIDBCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-10(15)17-9-12-7-8-18-14(12)13(16)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of (2-benzoylthiophen-3-yl)methyl acetate?
(2-benzoylthiophen-3-yl)methyl acetate has a molecular weight of 260.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoylthiophen-3-yl)methyl acetate is sourced from PubChem (CID 134109322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).