(4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate

C16H14O3S — CID 172538888

IUPAC(4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate
SMILESC=Cc1ccc(COC(=O)c2ccc(C(C)=O)s2)cc1
InChIInChI=1S/C16H14O3S/c1-3-12-4-6-13(7-5-12)10-19-16(18)15-9-8-14(20-15)11(2)17/h3-9H,1,10H2,2H3
InChIKeyRIBKSNXLKABXNX-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.95
Rot. Bonds5

About (4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate

(4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate (PubChem CID 172538888) has the molecular formula C16H14O3S and a molecular weight of 286.35 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate
PubChem CID172538888
Molecular FormulaC16H14O3S
Molecular Weight286.35 g/mol
Exact Mass286.07
IUPAC Name(4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate
SMILESC=Cc1ccc(COC(=O)c2ccc(C(C)=O)s2)cc1
InChIInChI=1S/C16H14O3S/c1-3-12-4-6-13(7-5-12)10-19-16(18)15-9-8-14(20-15)11(2)17/h3-9H,1,10H2,2H3
InChIKeyRIBKSNXLKABXNX-UHFFFAOYSA-N
XLogP3.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate
CID 164789063
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
(4-ethenylphenyl)methyl 4-methylsulfanylthiophene-3-carboxylate
CID 172538905
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
2-[(4-ethenylphenyl)methoxycarbonyl]terephthalic acid
CID 54141811
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655
(4-ethenylphenyl)methyl 2,2-dimethylbutanoate
CID 20764938
(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
CID 122625881
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
(4-ethenylphenyl)methyl cyclopentanecarboxylate
CID 175015138

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate?
The IUPAC name of (4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate (CID 172538888) is (4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate.
What is the SMILES notation for (4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate?
The canonical SMILES for (4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate is C=Cc1ccc(COC(=O)c2ccc(C(C)=O)s2)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate?
The InChIKey is RIBKSNXLKABXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3S/c1-3-12-4-6-13(7-5-12)10-19-16(18)15-9-8-14(20-15)11(2)17/h3-9H,1,10H2,2H3.
What are the key properties of (4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate?
(4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate has a molecular weight of 286.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl 5-acetylthiophene-2-carboxylate is sourced from PubChem (CID 172538888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).