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

C19H18FNO2S — CID 19426932

IUPAC2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol
SMILESCCC(O)(c1nccs1)c1cc(F)cc(O)c1Cc1ccccc1
InChIInChI=1S/C19H18FNO2S/c1-2-19(23,18-21-8-9-24-18)16-11-14(20)12-17(22)15(16)10-13-6-4-3-5-7-13/h3-9,11-12,22-23H,2,10H2,1H3
InChIKeyMGMDBVJPUOFKQP-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.22
Rot. Bonds5

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

2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol (PubChem CID 19426932) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol.

Molecular Properties

Compound Name2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol
PubChem CID19426932
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC Name2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol
SMILESCCC(O)(c1nccs1)c1cc(F)cc(O)c1Cc1ccccc1
InChIInChI=1S/C19H18FNO2S/c1-2-19(23,18-21-8-9-24-18)16-11-14(20)12-17(22)15(16)10-13-6-4-3-5-7-13/h3-9,11-12,22-23H,2,10H2,1H3
InChIKeyMGMDBVJPUOFKQP-UHFFFAOYSA-N
XLogP4.22
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol?
The IUPAC name of 2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol (CID 19426932) is 2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol.
What is the SMILES notation for 2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol?
The canonical SMILES for 2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol is CCC(O)(c1nccs1)c1cc(F)cc(O)c1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol?
The InChIKey is MGMDBVJPUOFKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-2-19(23,18-21-8-9-24-18)16-11-14(20)12-17(22)15(16)10-13-6-4-3-5-7-13/h3-9,11-12,22-23H,2,10H2,1H3.
What are the key properties of 2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol?
2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol has a molecular weight of 343.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-fluoro-3-[1-hydroxy-1-(1,3-thiazol-2-yl)propyl]phenol is sourced from PubChem (CID 19426932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).