2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid

C14H14O3S — CID 63073472

IUPAC2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid
SMILESO=C(O)C(COCc1cccs1)c1ccccc1
InChIInChI=1S/C14H14O3S/c15-14(16)13(11-5-2-1-3-6-11)10-17-9-12-7-4-8-18-12/h1-8,13H,9-10H2,(H,15,16)
InChIKeyTYGFZDGAFBRBIT-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.13
Rot. Bonds6

About 2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid

2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid (PubChem CID 63073472) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid
PubChem CID63073472
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid
SMILESO=C(O)C(COCc1cccs1)c1ccccc1
InChIInChI=1S/C14H14O3S/c15-14(16)13(11-5-2-1-3-6-11)10-17-9-12-7-4-8-18-12/h1-8,13H,9-10H2,(H,15,16)
InChIKeyTYGFZDGAFBRBIT-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
3-oxo-3-(thiophen-2-ylmethoxy)-2-(thiophen-2-ylmethyl)propanoic acid
CID 175411942
3-(2-methoxyethoxy)-2-phenylpropanoic acid
CID 63073447
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111
2-phenyl-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 62884026
2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
CID 62878139
3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid
CID 82825431
methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate
CID 134951408
2-phenyl-3-phosphanylpropanoic acid
CID 174900432
2-[hydroxy(thiophen-2-ylmethyl)phosphoryl]oxy-2-phenylacetic acid
CID 18472738
1-phenyl-3-thiophen-2-ylpropane-1,2-diol
CID 103459541
N-[3-[1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]ethyl]phenyl]benzamide
CID 112840104

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid?
The IUPAC name of 2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid (CID 63073472) is 2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid?
The canonical SMILES for 2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid is O=C(O)C(COCc1cccs1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid?
The InChIKey is TYGFZDGAFBRBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c15-14(16)13(11-5-2-1-3-6-11)10-17-9-12-7-4-8-18-12/h1-8,13H,9-10H2,(H,15,16).
What are the key properties of 2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid?
2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid has a molecular weight of 262.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(thiophen-2-ylmethoxy)propanoic acid is sourced from PubChem (CID 63073472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).