2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid

C15H15ClO3S — CID 83955898

IUPAC2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccccc1CC(C(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClO3S/c1-2-19-12-6-4-3-5-10(12)9-11(15(17)18)13-7-8-14(16)20-13/h3-8,11H,2,9H2,1H3,(H,17,18)
InChIKeyYMCTUUWLSZDJGI-UHFFFAOYSA-N
MW310.80 g/mol
LogP4.21
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid

2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid (PubChem CID 83955898) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid
PubChem CID83955898
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccccc1CC(C(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClO3S/c1-2-19-12-6-4-3-5-10(12)9-11(15(17)18)13-7-8-14(16)20-13/h3-8,11H,2,9H2,1H3,(H,17,18)
InChIKeyYMCTUUWLSZDJGI-UHFFFAOYSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955882
(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964
3-(2-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 83954608
(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100543995
(2S)-2-(4-chlorophenyl)sulfanyl-3-(2-ethoxyphenyl)propanoic acid
CID 100543923
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 134061130
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
2-(5-chlorothiophen-2-yl)-3-[4-(diethylamino)phenyl]propanoic acid
CID 83951103
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
3-[2-[2-(dimethylamino)ethoxy]phenyl]-2-thiophen-2-ylpropanoic acid
CID 20994023

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid (CID 83955898) is 2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid is CCOc1ccccc1CC(C(=O)O)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid?
The InChIKey is YMCTUUWLSZDJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-2-19-12-6-4-3-5-10(12)9-11(15(17)18)13-7-8-14(16)20-13/h3-8,11H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid?
2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid has a molecular weight of 310.80 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 83955898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).