2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid

C15H14O4S — CID 174976623

IUPAC2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid
SMILESCCC(=O)Oc1ccc(C(C(=O)O)c2ccccc2)s1
InChIInChI=1S/C15H14O4S/c1-2-12(16)19-13-9-8-11(20-13)14(15(17)18)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3,(H,17,18)
InChIKeyFLBRJIMEFCNGKD-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.28
Rot. Bonds5

About 2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid

2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid (PubChem CID 174976623) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid
PubChem CID174976623
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid
SMILESCCC(=O)Oc1ccc(C(C(=O)O)c2ccccc2)s1
InChIInChI=1S/C15H14O4S/c1-2-12(16)19-13-9-8-11(20-13)14(15(17)18)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3,(H,17,18)
InChIKeyFLBRJIMEFCNGKD-UHFFFAOYSA-N
XLogP3.28
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-2-(5-propanoylthiophen-2-yl)acetate
CID 174336148
(5-formylthiophen-2-yl) propanoate
CID 90706669
phenyl propanoate
CID 161258381
(2-oxo-1-phenylbutyl) propanoate
CID 102378018
CID 161494205
CID 161494205
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
(2S)-2-[(E)-butan-2-ylideneamino]oxy-2-phenylacetic acid
CID 172965594
ethanol;1-phenylethyl propanoate
CID 175279617
[(2R)-2-hydroxy-2-phenylethyl] propanoate
CID 10442612
benzene-1,2-diol;2,2-diphenylacetic acid
CID 70395054
acetamide;phenyl propanoate
CID 175120271

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid?
The IUPAC name of 2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid (CID 174976623) is 2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid.
What is the SMILES notation for 2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid?
The canonical SMILES for 2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid is CCC(=O)Oc1ccc(C(C(=O)O)c2ccccc2)s1.
What is the InChIKey of 2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid?
The InChIKey is FLBRJIMEFCNGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-2-12(16)19-13-9-8-11(20-13)14(15(17)18)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3,(H,17,18).
What are the key properties of 2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid?
2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid has a molecular weight of 290.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(5-propanoyloxythiophen-2-yl)acetic acid is sourced from PubChem (CID 174976623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).