methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate

C14H12O3S — CID 21391799

IUPACmethyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C14H12O3S/c1-17-13(15)9-10-4-6-11(7-5-10)14(16)12-3-2-8-18-12/h2-8H,9H2,1H3
InChIKeyHBJBJEGKNCMUPK-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.69
Rot. Bonds4

About methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate

methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate (PubChem CID 21391799) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate
PubChem CID21391799
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Namemethyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C14H12O3S/c1-17-13(15)9-10-4-6-11(7-5-10)14(16)12-3-2-8-18-12/h2-8H,9H2,1H3
InChIKeyHBJBJEGKNCMUPK-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone
CID 158137220
[4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone
CID 66635446
methyl 2-[4-[4-hydroxy-2-(2-methylphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]phenyl]acetate
CID 108684991
[4-(thiophene-2-carbonyl)phenyl]thiourea
CID 95560975
CID 172801156
CID 172801156
(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate
CID 18151557
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
methyl (2S)-3-(4-methoxyphenyl)-2-[[(2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoyl]amino]propanoate
CID 102239616
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116628410
[4-(1,1-dihydroxypropan-2-yl)phenyl]-thiophen-2-ylmethanone
CID 70586978
diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium
CID 140948266
2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone
CID 160839324

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate (CID 21391799) is methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate is COC(=O)Cc1ccc(C(=O)c2cccs2)cc1.
What is the InChIKey of methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate?
The InChIKey is HBJBJEGKNCMUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-17-13(15)9-10-4-6-11(7-5-10)14(16)12-3-2-8-18-12/h2-8H,9H2,1H3.
What are the key properties of methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate?
methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate has a molecular weight of 260.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate is sourced from PubChem (CID 21391799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).