2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid

C23H26ClNO4 — CID 44579552

IUPAC2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O
InChIInChI=1S/C23H26ClNO4/c1-23(2,22(26)27)29-21-9-7-20(8-10-21)28-16-15-25-13-11-18(12-14-25)17-3-5-19(24)6-4-17/h3-11H,12-16H2,1-2H3,(H,26,27)
InChIKeyNPVZXFMOPRESBK-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.75
Rot. Bonds8

About 2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid

2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid (PubChem CID 44579552) has the molecular formula C23H26ClNO4 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid
PubChem CID44579552
Molecular FormulaC23H26ClNO4
Molecular Weight415.92 g/mol
Exact Mass415.16
IUPAC Name2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O
InChIInChI=1S/C23H26ClNO4/c1-23(2,22(26)27)29-21-9-7-20(8-10-21)28-16-15-25-13-11-18(12-14-25)17-3-5-19(24)6-4-17/h3-11H,12-16H2,1-2H3,(H,26,27)
InChIKeyNPVZXFMOPRESBK-UHFFFAOYSA-N
XLogP4.75
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid (CID 44579552) is 2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid?
The InChIKey is NPVZXFMOPRESBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO4/c1-23(2,22(26)27)29-21-9-7-20(8-10-21)28-16-15-25-13-11-18(12-14-25)17-3-5-19(24)6-4-17/h3-11H,12-16H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid?
2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid has a molecular weight of 415.92 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 44579552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).