[2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol

C18H16ClNO2S — CID 78880755

IUPAC[2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
SMILESOCc1ccccc1OCc1csc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClNO2S/c19-15-7-5-13(6-8-15)9-18-20-16(12-23-18)11-22-17-4-2-1-3-14(17)10-21/h1-8,12,21H,9-11H2
InChIKeyWXJMCAORBSAQNF-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.46
Rot. Bonds6

About [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol

[2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol (PubChem CID 78880755) has the molecular formula C18H16ClNO2S and a molecular weight of 345.85 g/mol. Its IUPAC name is [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
PubChem CID78880755
Molecular FormulaC18H16ClNO2S
Molecular Weight345.85 g/mol
Exact Mass345.06
IUPAC Name[2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
SMILESOCc1ccccc1OCc1csc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClNO2S/c19-15-7-5-13(6-8-15)9-18-20-16(12-23-18)11-22-17-4-2-1-3-14(17)10-21/h1-8,12,21H,9-11H2
InChIKeyWXJMCAORBSAQNF-UHFFFAOYSA-N
XLogP4.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol with MolForge

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Related Compounds

[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487303
[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 78880752
[2-[(5-chloropyrazin-2-yl)methoxy]phenyl]methanol
CID 103054859
2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94279929
2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl-methylamino]ethanol
CID 110891359
[2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 126774616
[2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 99697878
[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487304
[3-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487345
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 38858056
2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole
CID 130552659
2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 55890045

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
The IUPAC name of [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol (CID 78880755) is [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
The canonical SMILES for [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol is OCc1ccccc1OCc1csc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
The InChIKey is WXJMCAORBSAQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S/c19-15-7-5-13(6-8-15)9-18-20-16(12-23-18)11-22-17-4-2-1-3-14(17)10-21/h1-8,12,21H,9-11H2.
What are the key properties of [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol?
[2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol has a molecular weight of 345.85 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 78880755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).