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

C18H25NO2S — CID 67224774

IUPAC3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCCCCCCOc1ccc(CCC(O)c2nccs2)cc1
InChIInChI=1S/C18H25NO2S/c1-2-3-4-5-13-21-16-9-6-15(7-10-16)8-11-17(20)18-19-12-14-22-18/h6-7,9-10,12,14,17,20H,2-5,8,11,13H2,1H3
InChIKeyMOXJONCESPCGSO-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.77
Rot. Bonds10

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

3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 67224774) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID67224774
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCCCCCCOc1ccc(CCC(O)c2nccs2)cc1
InChIInChI=1S/C18H25NO2S/c1-2-3-4-5-13-21-16-9-6-15(7-10-16)8-11-17(20)18-19-12-14-22-18/h6-7,9-10,12,14,17,20H,2-5,8,11,13H2,1H3
InChIKeyMOXJONCESPCGSO-UHFFFAOYSA-N
XLogP4.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.77
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

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CID 10943825
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5-(4-heptoxyphenyl)-3-methylpentan-2-ol
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4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
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CID 93086996
2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid
CID 22618800
4-amino-1-(4-hexoxyphenyl)heptan-3-ol
CID 83932758
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol
CID 82184926
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol (CID 67224774) is 3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol is CCCCCCOc1ccc(CCC(O)c2nccs2)cc1.
What is the InChIKey of 3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is MOXJONCESPCGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-2-3-4-5-13-21-16-9-6-15(7-10-16)8-11-17(20)18-19-12-14-22-18/h6-7,9-10,12,14,17,20H,2-5,8,11,13H2,1H3.
What are the key properties of 3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol?
3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 319.47 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 67224774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).