2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid

C29H26ClNO4 — CID 126616071

IUPAC2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid
SMILESCOc1ccc(COc2ccc(-c3c(C)nc(C)c(CC(=O)O)c3-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C29H26ClNO4/c1-18-26(16-27(32)33)29(22-6-10-23(30)11-7-22)28(19(2)31-18)21-8-14-25(15-9-21)35-17-20-4-12-24(34-3)13-5-20/h4-15H,16-17H2,1-3H3,(H,32,33)
InChIKeyHKRUXZUSRARAQD-UHFFFAOYSA-N
MW487.98 g/mol
LogP6.90
Rot. Bonds8

About 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid

2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid (PubChem CID 126616071) has the molecular formula C29H26ClNO4 and a molecular weight of 487.98 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid
PubChem CID126616071
Molecular FormulaC29H26ClNO4
Molecular Weight487.98 g/mol
Exact Mass487.16
IUPAC Name2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid
SMILESCOc1ccc(COc2ccc(-c3c(C)nc(C)c(CC(=O)O)c3-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C29H26ClNO4/c1-18-26(16-27(32)33)29(22-6-10-23(30)11-7-22)28(19(2)31-18)21-8-14-25(15-9-21)35-17-20-4-12-24(34-3)13-5-20/h4-15H,16-17H2,1-3H3,(H,32,33)
InChIKeyHKRUXZUSRARAQD-UHFFFAOYSA-N
XLogP6.90
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.98
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic 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-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 126601946
diethyl 4-[4-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232718
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 61373629
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
2-[6-[(4-chlorophenoxy)methyl]-4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methyl-3-pyridinyl]acetic acid
CID 145258102
2-[5-[(4-chlorophenyl)methoxy]-2-methyl-1H-indol-3-yl]acetic acid
CID 4569449
N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide
CID 134098728
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid (CID 126616071) is 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid is COc1ccc(COc2ccc(-c3c(C)nc(C)c(CC(=O)O)c3-c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid?
The InChIKey is HKRUXZUSRARAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClNO4/c1-18-26(16-27(32)33)29(22-6-10-23(30)11-7-22)28(19(2)31-18)21-8-14-25(15-9-21)35-17-20-4-12-24(34-3)13-5-20/h4-15H,16-17H2,1-3H3,(H,32,33).
What are the key properties of 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid?
2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid has a molecular weight of 487.98 g/mol, XLogP of 6.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 126616071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).