2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid

C27H24O3S — CID 21362905

IUPAC2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid
SMILESCC(Cc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C27H24O3S/c1-19(27(28)29)15-21-11-5-6-12-23(21)22-16-26(31-18-22)24-13-7-8-14-25(24)30-17-20-9-3-2-4-10-20/h2-14,16,18-19H,15,17H2,1H3,(H,28,29)
InChIKeyLQHOQNMRXOSDNF-UHFFFAOYSA-N
MW428.55 g/mol
LogP6.92
Rot. Bonds8

About 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid

2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid (PubChem CID 21362905) has the molecular formula C27H24O3S and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid
PubChem CID21362905
Molecular FormulaC27H24O3S
Molecular Weight428.55 g/mol
Exact Mass428.14
IUPAC Name2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid
SMILESCC(Cc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C27H24O3S/c1-19(27(28)29)15-21-11-5-6-12-23(21)22-16-26(31-18-22)24-13-7-8-14-25(24)30-17-20-9-3-2-4-10-20/h2-14,16,18-19H,15,17H2,1H3,(H,28,29)
InChIKeyLQHOQNMRXOSDNF-UHFFFAOYSA-N
XLogP6.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.55
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid (CID 21362905) is 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid is CC(Cc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid?
The InChIKey is LQHOQNMRXOSDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O3S/c1-19(27(28)29)15-21-11-5-6-12-23(21)22-16-26(31-18-22)24-13-7-8-14-25(24)30-17-20-9-3-2-4-10-20/h2-14,16,18-19H,15,17H2,1H3,(H,28,29).
What are the key properties of 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid?
2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid has a molecular weight of 428.55 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[5-(2-phenylmethoxyphenyl)thiophen-3-yl]phenyl]propanoic acid is sourced from PubChem (CID 21362905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).