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

C12H12FNO2S — CID 142639746

IUPAC5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol
SMILESOc1cc(F)ccc1OCCCc1cscn1
InChIInChI=1S/C12H12FNO2S/c13-9-3-4-12(11(15)6-9)16-5-1-2-10-7-17-8-14-10/h3-4,6-8,15H,1-2,5H2
InChIKeyDJMBWBWACMIMQQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.00
Rot. Bonds5

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

5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol (PubChem CID 142639746) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol
PubChem CID142639746
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol
SMILESOc1cc(F)ccc1OCCCc1cscn1
InChIInChI=1S/C12H12FNO2S/c13-9-3-4-12(11(15)6-9)16-5-1-2-10-7-17-8-14-10/h3-4,6-8,15H,1-2,5H2
InChIKeyDJMBWBWACMIMQQ-UHFFFAOYSA-N
XLogP3.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol?
The IUPAC name of 5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol (CID 142639746) is 5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol?
The canonical SMILES for 5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol is Oc1cc(F)ccc1OCCCc1cscn1.
What is the InChIKey of 5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol?
The InChIKey is DJMBWBWACMIMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c13-9-3-4-12(11(15)6-9)16-5-1-2-10-7-17-8-14-10/h3-4,6-8,15H,1-2,5H2.
What are the key properties of 5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol?
5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol has a molecular weight of 253.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol is sourced from PubChem (CID 142639746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).