2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid

C31H31NO3 — CID 46244072

IUPAC2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid
SMILESCOc1ncccc1-c1cc(CCC(CCCc2ccccc2)C(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C31H31NO3/c1-35-30-28(16-9-21-32-30)29-22-24(18-20-27(29)25-13-6-3-7-14-25)17-19-26(31(33)34)15-8-12-23-10-4-2-5-11-23/h2-7,9-11,13-14,16,18,20-22,26H,8,12,15,17,19H2,1H3,(H,33,34)
InChIKeyXYBKNQYMABWNDM-UHFFFAOYSA-N
MW465.59 g/mol
LogP7.08
Rot. Bonds11

About 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid

2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid (PubChem CID 46244072) has the molecular formula C31H31NO3 and a molecular weight of 465.59 g/mol. Its IUPAC name is 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid
PubChem CID46244072
Molecular FormulaC31H31NO3
Molecular Weight465.59 g/mol
Exact Mass465.23
IUPAC Name2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid
SMILESCOc1ncccc1-c1cc(CCC(CCCc2ccccc2)C(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C31H31NO3/c1-35-30-28(16-9-21-32-30)29-22-24(18-20-27(29)25-13-6-3-7-14-25)17-19-26(31(33)34)15-8-12-23-10-4-2-5-11-23/h2-7,9-11,13-14,16,18,20-22,26H,8,12,15,17,19H2,1H3,(H,33,34)
InChIKeyXYBKNQYMABWNDM-UHFFFAOYSA-N
XLogP7.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic 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-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid?
The IUPAC name of 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid (CID 46244072) is 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid.
What is the SMILES notation for 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid?
The canonical SMILES for 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid is COc1ncccc1-c1cc(CCC(CCCc2ccccc2)C(=O)O)ccc1-c1ccccc1.
What is the InChIKey of 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid?
The InChIKey is XYBKNQYMABWNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO3/c1-35-30-28(16-9-21-32-30)29-22-24(18-20-27(29)25-13-6-3-7-14-25)17-19-26(31(33)34)15-8-12-23-10-4-2-5-11-23/h2-7,9-11,13-14,16,18,20-22,26H,8,12,15,17,19H2,1H3,(H,33,34).
What are the key properties of 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid?
2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid has a molecular weight of 465.59 g/mol, XLogP of 7.08, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoic acid is sourced from PubChem (CID 46244072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).