2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid

C24H23NO5 — CID 86299967

IUPAC2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid
SMILESCc1ccc(-c2cccc(COc3ccc(C4(OCC(=O)O)COC4)cc3)c2)cn1
InChIInChI=1S/C24H23NO5/c1-17-5-6-20(12-25-17)19-4-2-3-18(11-19)13-29-22-9-7-21(8-10-22)24(15-28-16-24)30-14-23(26)27/h2-12H,13-16H2,1H3,(H,26,27)
InChIKeyAMTMTZPLBIHSSQ-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.96
Rot. Bonds8

About 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid

2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid (PubChem CID 86299967) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid
PubChem CID86299967
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid
SMILESCc1ccc(-c2cccc(COc3ccc(C4(OCC(=O)O)COC4)cc3)c2)cn1
InChIInChI=1S/C24H23NO5/c1-17-5-6-20(12-25-17)19-4-2-3-18(11-19)13-29-22-9-7-21(8-10-22)24(15-28-16-24)30-14-23(26)27/h2-12H,13-16H2,1H3,(H,26,27)
InChIKeyAMTMTZPLBIHSSQ-UHFFFAOYSA-N
XLogP3.96
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[4-[[3-(3-cyanophenyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid
CID 86301132
ethyl 2-[3-[4-[[3-(4-methylpyrimidin-5-yl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetate
CID 86302237
methyl 2-[3-[4-[[3-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]-2,6-dimethylphenyl]phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetate
CID 86301613
ethyl 2-[3-[4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetate
CID 144733590
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
methyl 2-[3-[4-[[3-[2-chloro-4-[(1,1-dioxothian-4-yl)methoxy]phenyl]phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetate
CID 86301611
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 63157691
2-[3-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
CID 71696726
3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188659
1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 120530535
methyl (3S)-3-[4-[[3-(4-methylphenyl)phenyl]methoxy]phenyl]-4-oxobutanoate
CID 88870261
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid (CID 86299967) is 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid is Cc1ccc(-c2cccc(COc3ccc(C4(OCC(=O)O)COC4)cc3)c2)cn1.
What is the InChIKey of 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid?
The InChIKey is AMTMTZPLBIHSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-17-5-6-20(12-25-17)19-4-2-3-18(11-19)13-29-22-9-7-21(8-10-22)24(15-28-16-24)30-14-23(26)27/h2-12H,13-16H2,1H3,(H,26,27).
What are the key properties of 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid?
2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid has a molecular weight of 405.45 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]phenyl]oxetan-3-yl]oxyacetic acid is sourced from PubChem (CID 86299967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).