3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid

C19H17NO3S — CID 121225009

IUPAC3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCOc1ccccc1-c1cccc(C(CC(=O)O)c2nccs2)c1
InChIInChI=1S/C19H17NO3S/c1-23-17-8-3-2-7-15(17)13-5-4-6-14(11-13)16(12-18(21)22)19-20-9-10-24-19/h2-11,16H,12H2,1H3,(H,21,22)
InChIKeyVOILKLABQYJNTN-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.43
Rot. Bonds6

About 3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid

3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 121225009) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID121225009
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCOc1ccccc1-c1cccc(C(CC(=O)O)c2nccs2)c1
InChIInChI=1S/C19H17NO3S/c1-23-17-8-3-2-7-15(17)13-5-4-6-14(11-13)16(12-18(21)22)19-20-9-10-24-19/h2-11,16H,12H2,1H3,(H,21,22)
InChIKeyVOILKLABQYJNTN-UHFFFAOYSA-N
XLogP4.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid (CID 121225009) is 3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid is COc1ccccc1-c1cccc(C(CC(=O)O)c2nccs2)c1.
What is the InChIKey of 3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is VOILKLABQYJNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-23-17-8-3-2-7-15(17)13-5-4-6-14(11-13)16(12-18(21)22)19-20-9-10-24-19/h2-11,16H,12H2,1H3,(H,21,22).
What are the key properties of 3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid?
3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 339.42 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 121225009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).