methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate

C16H16O3S — CID 174336148

IUPACmethyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate
SMILESCCC(=O)c1ccc(C(C(=O)OC)c2ccccc2)s1
InChIInChI=1S/C16H16O3S/c1-3-12(17)13-9-10-14(20-13)15(16(18)19-2)11-7-5-4-6-8-11/h4-10,15H,3H2,1-2H3
InChIKeyGHCKSHDOGFBLRC-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.65
Rot. Bonds5

About methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate

methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate (PubChem CID 174336148) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate
PubChem CID174336148
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Namemethyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate
SMILESCCC(=O)c1ccc(C(C(=O)OC)c2ccccc2)s1
InChIInChI=1S/C16H16O3S/c1-3-12(17)13-9-10-14(20-13)15(16(18)19-2)11-7-5-4-6-8-11/h4-10,15H,3H2,1-2H3
InChIKeyGHCKSHDOGFBLRC-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid
CID 174976623
methyl 2-(5-benzoylthiophen-2-yl)propanoate
CID 527330
1-(5-aminothiophen-2-yl)propan-1-one
CID 82372573
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
CID 121134072
methyl 2-phenyl-3-pyrazol-1-ylpropanoate
CID 64567255
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate
CID 62111155
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate?
The IUPAC name of methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate (CID 174336148) is methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate?
The canonical SMILES for methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate is CCC(=O)c1ccc(C(C(=O)OC)c2ccccc2)s1.
What is the InChIKey of methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate?
The InChIKey is GHCKSHDOGFBLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-3-12(17)13-9-10-14(20-13)15(16(18)19-2)11-7-5-4-6-8-11/h4-10,15H,3H2,1-2H3.
What are the key properties of methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate?
methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate has a molecular weight of 288.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate is sourced from PubChem (CID 174336148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).