4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine

C30H37NO3S — CID 141010292

IUPAC4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine
SMILESCCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(C2CSCN2)cc1CCC
InChIInChI=1S/C30H37NO3S/c1-3-9-24-19-23(28-21-35-22-31-28)13-15-29(24)32-17-8-18-33-30-16-14-27(20-25(30)10-4-2)34-26-11-6-5-7-12-26/h5-7,11-16,19-20,28,31H,3-4,8-10,17-18,21-22H2,1-2H3
InChIKeyDQTKJIBQMOHNOR-UHFFFAOYSA-N
MW491.70 g/mol
LogP7.57
Rot. Bonds13

About 4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine

4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine (PubChem CID 141010292) has the molecular formula C30H37NO3S and a molecular weight of 491.70 g/mol. Its IUPAC name is 4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine.

Molecular Properties

Compound Name4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine
PubChem CID141010292
Molecular FormulaC30H37NO3S
Molecular Weight491.70 g/mol
Exact Mass491.25
IUPAC Name4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine
SMILESCCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(C2CSCN2)cc1CCC
InChIInChI=1S/C30H37NO3S/c1-3-9-24-19-23(28-21-35-22-31-28)13-15-29(24)32-17-8-18-33-30-16-14-27(20-25(30)10-4-2)34-26-11-6-5-7-12-26/h5-7,11-16,19-20,28,31H,3-4,8-10,17-18,21-22H2,1-2H3
InChIKeyDQTKJIBQMOHNOR-UHFFFAOYSA-N
XLogP7.57
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.70
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22459062
ethyl 2-hydroxy-2-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22458966
methyl 2-hydroxy-2-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22459050
[(2R)-1-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]sulfonylazetidin-2-yl] hydrogen carbonate
CID 69353836
5-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 22458986
4-[3-chloro-4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]-4-fluoro-1,3-thiazolidine-2,5-dione
CID 22459122
[(2R)-1-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]sulfonylpyrrolidin-2-yl] hydrogen carbonate
CID 69352510
5-[4-[3-[4-(4-cyclopentylphenoxy)-2-propylphenoxy]propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91932576
methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate
CID 82552125
5-[3-[3-[4-(4-fluorophenoxy)-2-propylphenoxy]propoxy]phenyl]-5-methyl-1,3-thiazolidine-2,4-dione
CID 22459167
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine
CID 82552134

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine?
The IUPAC name of 4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine (CID 141010292) is 4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine.
What is the SMILES notation for 4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine?
The canonical SMILES for 4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine is CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(C2CSCN2)cc1CCC.
What is the InChIKey of 4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine?
The InChIKey is DQTKJIBQMOHNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO3S/c1-3-9-24-19-23(28-21-35-22-31-28)13-15-29(24)32-17-8-18-33-30-16-14-27(20-25(30)10-4-2)34-26-11-6-5-7-12-26/h5-7,11-16,19-20,28,31H,3-4,8-10,17-18,21-22H2,1-2H3.
What are the key properties of 4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine?
4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine has a molecular weight of 491.70 g/mol, XLogP of 7.57, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine is sourced from PubChem (CID 141010292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).