5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol

C15H23NO4S — CID 141435625

IUPAC5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol
SMILESCOCCOCCOc1ccc(N2CC(C)CS2)c(O)c1
InChIInChI=1S/C15H23NO4S/c1-12-10-16(21-11-12)14-4-3-13(9-15(14)17)20-8-7-19-6-5-18-2/h3-4,9,12,17H,5-8,10-11H2,1-2H3
InChIKeyIPIVNJMUUQOSFF-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.54
Rot. Bonds8

About 5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol

5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol (PubChem CID 141435625) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol.

Molecular Properties

Compound Name5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol
PubChem CID141435625
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol
SMILESCOCCOCCOc1ccc(N2CC(C)CS2)c(O)c1
InChIInChI=1S/C15H23NO4S/c1-12-10-16(21-11-12)14-4-3-13(9-15(14)17)20-8-7-19-6-5-18-2/h3-4,9,12,17H,5-8,10-11H2,1-2H3
InChIKeyIPIVNJMUUQOSFF-UHFFFAOYSA-N
XLogP2.54
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(4S)-2-[2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
CID 137103375
2-fluoro-5-(2-methoxyethoxy)phenol
CID 125116238
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
CID 136623557
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid
CID 101488478
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
methyl (4R)-2-[3-hydroxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-1-methyl-4,5-dihydroimidazole-4-carboxylate
CID 144849582
methyl 2-[2-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 145180716
(2S,5S)-2,5-dimethyl-1,4-bis[4-[tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenyl]piperazine
CID 15548313

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol?
The IUPAC name of 5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol (CID 141435625) is 5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol.
What is the SMILES notation for 5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol?
The canonical SMILES for 5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol is COCCOCCOc1ccc(N2CC(C)CS2)c(O)c1.
What is the InChIKey of 5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol?
The InChIKey is IPIVNJMUUQOSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-12-10-16(21-11-12)14-4-3-13(9-15(14)17)20-8-7-19-6-5-18-2/h3-4,9,12,17H,5-8,10-11H2,1-2H3.
What are the key properties of 5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol?
5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol has a molecular weight of 313.42 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethoxy)ethoxy]-2-(4-methyl-1,2-thiazolidin-2-yl)phenol is sourced from PubChem (CID 141435625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).