3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid

C20H18O3S — CID 83952104

IUPAC3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1cccc(OCc2ccccc2)c1)c1cccs1
InChIInChI=1S/C20H18O3S/c21-20(22)18(19-10-5-11-24-19)13-16-8-4-9-17(12-16)23-14-15-6-2-1-3-7-15/h1-12,18H,13-14H2,(H,21,22)
InChIKeyVVXRQVNHVAOVEF-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.74
Rot. Bonds7

About 3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid

3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid (PubChem CID 83952104) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid
PubChem CID83952104
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(Cc1cccc(OCc2ccccc2)c1)c1cccs1
InChIInChI=1S/C20H18O3S/c21-20(22)18(19-10-5-11-24-19)13-16-8-4-9-17(12-16)23-14-15-6-2-1-3-7-15/h1-12,18H,13-14H2,(H,21,22)
InChIKeyVVXRQVNHVAOVEF-UHFFFAOYSA-N
XLogP4.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-phenoxyethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 22687888
3-[3-[3-(dimethylamino)propoxy]phenyl]-2-thiophen-2-ylpropanoic acid
CID 22688049
(3-phenylmethoxyphenyl)-thiophen-2-ylmethanol
CID 2904667
3-[4-methoxy-3-(2-phenoxyethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20990244
2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
CID 84752879
3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22681173
3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20988831
3-[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]-2-thiophen-2-ylpropanoic acid
CID 22681229
3-(4-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22685131
benzyl (2R)-2-[(2-phenylacetyl)amino]-3-(3-phenylmethoxyphenyl)propanoate
CID 124746412
(2R)-2-[(3-phenylmethoxyphenyl)methylamino]propanoic acid
CID 95003342
3-(3-chloro-4-propan-2-yloxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83953051

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid (CID 83952104) is 3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid is O=C(O)C(Cc1cccc(OCc2ccccc2)c1)c1cccs1.
What is the InChIKey of 3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid?
The InChIKey is VVXRQVNHVAOVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3S/c21-20(22)18(19-10-5-11-24-19)13-16-8-4-9-17(12-16)23-14-15-6-2-1-3-7-15/h1-12,18H,13-14H2,(H,21,22).
What are the key properties of 3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid?
3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid has a molecular weight of 338.43 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxyphenyl)-2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 83952104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).