5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol

C20H29NO2S — CID 67115711

IUPAC5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCCCCCCOc1ccc(C(CCCCO)c2nccs2)cc1
InChIInChI=1S/C20H29NO2S/c1-2-3-4-7-15-23-18-11-9-17(10-12-18)19(8-5-6-14-22)20-21-13-16-24-20/h9-13,16,19,22H,2-8,14-15H2,1H3
InChIKeyLIFPWHSKCXJLBZ-UHFFFAOYSA-N
MW347.52 g/mol
LogP5.40
Rot. Bonds12

About 5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol

5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol (PubChem CID 67115711) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is 5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
PubChem CID67115711
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC Name5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCCCCCCOc1ccc(C(CCCCO)c2nccs2)cc1
InChIInChI=1S/C20H29NO2S/c1-2-3-4-7-15-23-18-11-9-17(10-12-18)19(8-5-6-14-22)20-21-13-16-24-20/h9-13,16,19,22H,2-8,14-15H2,1H3
InChIKeyLIFPWHSKCXJLBZ-UHFFFAOYSA-N
XLogP5.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[1-(1,3-thiazol-2-yl)tridecyl]benzoate
CID 176916363
3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
CID 67224774
(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797
2-tetradecan-7-yl-1,3-thiazole
CID 130410551
3-amino-3-(4-decoxyphenyl)propan-1-ol
CID 170874519
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
bis(4-octoxyphenyl)methanol
CID 139262063
2-[4-(4-octoxyphenyl)phenyl]propane-1,3-diol
CID 70414830
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of 5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol?
The IUPAC name of 5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol (CID 67115711) is 5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol.
What is the SMILES notation for 5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol?
The canonical SMILES for 5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol is CCCCCCOc1ccc(C(CCCCO)c2nccs2)cc1.
What is the InChIKey of 5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol?
The InChIKey is LIFPWHSKCXJLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S/c1-2-3-4-7-15-23-18-11-9-17(10-12-18)19(8-5-6-14-22)20-21-13-16-24-20/h9-13,16,19,22H,2-8,14-15H2,1H3.
What are the key properties of 5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol?
5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol has a molecular weight of 347.52 g/mol, XLogP of 5.40, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 67115711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).