[2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol

C11H10ClNO3S — CID 80692718

IUPAC[2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol
SMILESOCc1ccccc1Oc1nc(Cl)c(CO)s1
InChIInChI=1S/C11H10ClNO3S/c12-10-9(6-15)17-11(13-10)16-8-4-2-1-3-7(8)5-14/h1-4,14-15H,5-6H2
InChIKeyIPRZTDPYPLJIOM-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.57
Rot. Bonds4

About [2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol

[2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol (PubChem CID 80692718) has the molecular formula C11H10ClNO3S and a molecular weight of 271.73 g/mol. Its IUPAC name is [2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol
PubChem CID80692718
Molecular FormulaC11H10ClNO3S
Molecular Weight271.73 g/mol
Exact Mass271.01
IUPAC Name[2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol
SMILESOCc1ccccc1Oc1nc(Cl)c(CO)s1
InChIInChI=1S/C11H10ClNO3S/c12-10-9(6-15)17-11(13-10)16-8-4-2-1-3-7(8)5-14/h1-4,14-15H,5-6H2
InChIKeyIPRZTDPYPLJIOM-UHFFFAOYSA-N
XLogP2.57
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol?
The IUPAC name of [2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol (CID 80692718) is [2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol.
What is the SMILES notation for [2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol?
The canonical SMILES for [2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol is OCc1ccccc1Oc1nc(Cl)c(CO)s1.
What is the InChIKey of [2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol?
The InChIKey is IPRZTDPYPLJIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c12-10-9(6-15)17-11(13-10)16-8-4-2-1-3-7(8)5-14/h1-4,14-15H,5-6H2.
What are the key properties of [2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol?
[2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol has a molecular weight of 271.73 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]oxy]phenyl]methanol is sourced from PubChem (CID 80692718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).