3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol

C13H14FNO2S — CID 19101639

IUPAC3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol
SMILESCCC(OC)(c1cc(O)cc(F)c1)c1nccs1
InChIInChI=1S/C13H14FNO2S/c1-3-13(17-2,12-15-4-5-18-12)9-6-10(14)8-11(16)7-9/h4-8,16H,3H2,1-2H3
InChIKeyDNOSEKHFFVZRIG-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.29
Rot. Bonds4

About 3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol

3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol (PubChem CID 19101639) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol
PubChem CID19101639
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol
SMILESCCC(OC)(c1cc(O)cc(F)c1)c1nccs1
InChIInChI=1S/C13H14FNO2S/c1-3-13(17-2,12-15-4-5-18-12)9-6-10(14)8-11(16)7-9/h4-8,16H,3H2,1-2H3
InChIKeyDNOSEKHFFVZRIG-UHFFFAOYSA-N
XLogP3.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol?
The IUPAC name of 3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol (CID 19101639) is 3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol.
What is the SMILES notation for 3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol?
The canonical SMILES for 3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol is CCC(OC)(c1cc(O)cc(F)c1)c1nccs1.
What is the InChIKey of 3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol?
The InChIKey is DNOSEKHFFVZRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-3-13(17-2,12-15-4-5-18-12)9-6-10(14)8-11(16)7-9/h4-8,16H,3H2,1-2H3.
What are the key properties of 3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol?
3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol has a molecular weight of 267.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]phenol is sourced from PubChem (CID 19101639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).