(1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol

C13H14BrNO2S — CID 102948904

IUPAC(1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
SMILESCc1csc(COc2cc(Br)ccc2[C@@H](C)O)n1
InChIInChI=1S/C13H14BrNO2S/c1-8-7-18-13(15-8)6-17-12-5-10(14)3-4-11(12)9(2)16/h3-5,7,9,16H,6H2,1-2H3/t9-/m1/s1
InChIKeyYDXPMZGJSNYRBJ-SECBINFHSA-N
MW328.23 g/mol
LogP3.85
Rot. Bonds4

About (1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol

(1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol (PubChem CID 102948904) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
PubChem CID102948904
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name(1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
SMILESCc1csc(COc2cc(Br)ccc2[C@@H](C)O)n1
InChIInChI=1S/C13H14BrNO2S/c1-8-7-18-13(15-8)6-17-12-5-10(14)3-4-11(12)9(2)16/h3-5,7,9,16H,6H2,1-2H3/t9-/m1/s1
InChIKeyYDXPMZGJSNYRBJ-SECBINFHSA-N
XLogP3.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol (CID 102948904) is (1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol is Cc1csc(COc2cc(Br)ccc2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol?
The InChIKey is YDXPMZGJSNYRBJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-8-7-18-13(15-8)6-17-12-5-10(14)3-4-11(12)9(2)16/h3-5,7,9,16H,6H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol?
(1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol has a molecular weight of 328.23 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).