5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol

C19H23NO2S — CID 163935182

IUPAC5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol
SMILESC=C(O)CCCOc1ccc(-c2cccc(SC(C)C)n2)cc1
InChIInChI=1S/C19H23NO2S/c1-14(2)23-19-8-4-7-18(20-19)16-9-11-17(12-10-16)22-13-5-6-15(3)21/h4,7-12,14,21H,3,5-6,13H2,1-2H3
InChIKeyRMDBTKBQSRDWFN-UHFFFAOYSA-N
MW329.47 g/mol
LogP5.48
Rot. Bonds8

About 5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol

5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol (PubChem CID 163935182) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol.

Molecular Properties

Compound Name5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol
PubChem CID163935182
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol
SMILESC=C(O)CCCOc1ccc(-c2cccc(SC(C)C)n2)cc1
InChIInChI=1S/C19H23NO2S/c1-14(2)23-19-8-4-7-18(20-19)16-9-11-17(12-10-16)22-13-5-6-15(3)21/h4,7-12,14,21H,3,5-6,13H2,1-2H3
InChIKeyRMDBTKBQSRDWFN-UHFFFAOYSA-N
XLogP5.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[6-(6-propan-2-ylsulfanyl-2-pyridinyl)naphthalen-2-yl]oxybutanoate
CID 121447242
(1R)-1-[6-[4-(2-methoxyethoxy)phenyl]-2-pyridinyl]ethanol
CID 126446543
2-[2,6-difluoro-4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]butanoic acid
CID 141426991
4-[6-(2-propan-2-ylsulfanyl-3-pyridinyl)naphthalen-2-yl]oxybutanoic acid
CID 121446981
4-[4-[9-[4-(4-hydroxybutoxy)phenyl]-1,10-phenanthrolin-2-yl]phenoxy]butan-1-ol
CID 100930714
[4-[4-[6-[4-[4-(4-nonoxybenzoyl)oxybenzoyl]oxyphenyl]-2-pyridinyl]phenoxy]carbonylphenyl] 4-nonoxybenzoate
CID 100960851
4-[4-(4-methylquinolin-2-yl)phenoxy]butanoic acid
CID 17466697
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
2-methylidene-9-(4-phenylphenoxy)nonanoic acid
CID 118914936
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
4-[4-(5-amino-6-benzylpyrazin-2-yl)phenoxy]butanoic acid
CID 174458677

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol?
The IUPAC name of 5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol (CID 163935182) is 5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol.
What is the SMILES notation for 5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol?
The canonical SMILES for 5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol is C=C(O)CCCOc1ccc(-c2cccc(SC(C)C)n2)cc1.
What is the InChIKey of 5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol?
The InChIKey is RMDBTKBQSRDWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14(2)23-19-8-4-7-18(20-19)16-9-11-17(12-10-16)22-13-5-6-15(3)21/h4,7-12,14,21H,3,5-6,13H2,1-2H3.
What are the key properties of 5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol?
5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol has a molecular weight of 329.47 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-propan-2-ylsulfanyl-2-pyridinyl)phenoxy]pent-1-en-2-ol is sourced from PubChem (CID 163935182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).