2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid

C15H16O3S — CID 60794367

IUPAC2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
SMILESCOc1ccccc1CC(Cc1cccs1)C(=O)O
InChIInChI=1S/C15H16O3S/c1-18-14-7-3-2-5-11(14)9-12(15(16)17)10-13-6-4-8-19-13/h2-8,12H,9-10H2,1H3,(H,16,17)
InChIKeyKJTVHCJDEZYRLR-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.24
Rot. Bonds6

About 2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid

2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid (PubChem CID 60794367) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
PubChem CID60794367
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
SMILESCOc1ccccc1CC(Cc1cccs1)C(=O)O
InChIInChI=1S/C15H16O3S/c1-18-14-7-3-2-5-11(14)9-12(15(16)17)10-13-6-4-8-19-13/h2-8,12H,9-10H2,1H3,(H,16,17)
InChIKeyKJTVHCJDEZYRLR-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794221
4-hydroxy-2-[(2-methoxyphenyl)methyl]butanoic acid
CID 79419076
2-[(2-methoxyphenyl)methyl]-4-phenylbutanoic acid
CID 79422266
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
2-(2-methoxyphenyl)-1-thiophen-2-ylethanol
CID 61087312
4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid
CID 114495157
5-methoxy-2-[(2-methoxyphenyl)methyl]-5-methylhexanoic acid
CID 103034779
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid
CID 15571614
2-[(2-methoxyphenyl)methyl]-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
CID 122108247

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid (CID 60794367) is 2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid is COc1ccccc1CC(Cc1cccs1)C(=O)O.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid?
The InChIKey is KJTVHCJDEZYRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-18-14-7-3-2-5-11(14)9-12(15(16)17)10-13-6-4-8-19-13/h2-8,12H,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid?
2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid has a molecular weight of 276.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 60794367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).