4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol

C21H23NOS — CID 23354762

IUPAC4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol
SMILESCCCCCCc1ccc(-c2ncc(-c3ccc(O)cc3)s2)cc1
InChIInChI=1S/C21H23NOS/c1-2-3-4-5-6-16-7-9-18(10-8-16)21-22-15-20(24-21)17-11-13-19(23)14-12-17/h7-15,23H,2-6H2,1H3
InChIKeySCSBQNZWYDGJGX-UHFFFAOYSA-N
MW337.49 g/mol
LogP6.31
Rot. Bonds7

About 4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol

4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol (PubChem CID 23354762) has the molecular formula C21H23NOS and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol
PubChem CID23354762
Molecular FormulaC21H23NOS
Molecular Weight337.49 g/mol
Exact Mass337.15
IUPAC Name4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol
SMILESCCCCCCc1ccc(-c2ncc(-c3ccc(O)cc3)s2)cc1
InChIInChI=1S/C21H23NOS/c1-2-3-4-5-6-16-7-9-18(10-8-16)21-22-15-20(24-21)17-11-13-19(23)14-12-17/h7-15,23H,2-6H2,1H3
InChIKeySCSBQNZWYDGJGX-UHFFFAOYSA-N
XLogP6.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.49
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hexylphenyl)-5-(4-nonylphenyl)-1,3-thiazole
CID 15332709
[4-[2-(4-octylphenyl)-1,3-thiazol-5-yl]phenyl] nonanoate
CID 23354791
3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane
CID 19757573
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenyl] 4-[butyl(dimethyl)silyl]butanoate
CID 19757578
calcium;hydride;4-octylphenol
CID 173256756
calcium;hydride;4-tetradecylphenol
CID 174582359
barium(2+);hydride;4-nonylphenol
CID 173156845

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol?
The IUPAC name of 4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol (CID 23354762) is 4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol.
What is the SMILES notation for 4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol?
The canonical SMILES for 4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol is CCCCCCc1ccc(-c2ncc(-c3ccc(O)cc3)s2)cc1.
What is the InChIKey of 4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol?
The InChIKey is SCSBQNZWYDGJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NOS/c1-2-3-4-5-6-16-7-9-18(10-8-16)21-22-15-20(24-21)17-11-13-19(23)14-12-17/h7-15,23H,2-6H2,1H3.
What are the key properties of 4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol?
4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol has a molecular weight of 337.49 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol is sourced from PubChem (CID 23354762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).