[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol

C15H12ClNO2S — CID 104631328

IUPAC[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
SMILESOCc1cccc(Cl)c1OCc1nc2ccccc2s1
InChIInChI=1S/C15H12ClNO2S/c16-11-5-3-4-10(8-18)15(11)19-9-14-17-12-6-1-2-7-13(12)20-14/h1-7,18H,8-9H2
InChIKeyJUEZARDVUIRMBW-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.02
Rot. Bonds4

About [2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol

[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol (PubChem CID 104631328) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
PubChem CID104631328
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
SMILESOCc1cccc(Cl)c1OCc1nc2ccccc2s1
InChIInChI=1S/C15H12ClNO2S/c16-11-5-3-4-10(8-18)15(11)19-9-14-17-12-6-1-2-7-13(12)20-14/h1-7,18H,8-9H2
InChIKeyJUEZARDVUIRMBW-UHFFFAOYSA-N
XLogP4.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-ylmethoxy)-3,5-dichloroaniline
CID 104630885
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 115761235
2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole
CID 8537265
2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
CID 107713086
1,3-benzothiazol-2-ylmethyl 2-(2,6-dichlorophenyl)acetate
CID 2391041
2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde
CID 104631097
[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol
CID 104631288
2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline
CID 104630915
2-(1,3-benzothiazol-2-ylmethoxy)-3-bromo-5-chloroaniline
CID 104630888
[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 112612839
4-(1,3-benzothiazol-2-ylmethoxy)-2-chlorobenzenecarbothioamide
CID 102724262
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol?
The IUPAC name of [2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol (CID 104631328) is [2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol.
What is the SMILES notation for [2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol?
The canonical SMILES for [2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol is OCc1cccc(Cl)c1OCc1nc2ccccc2s1.
What is the InChIKey of [2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol?
The InChIKey is JUEZARDVUIRMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c16-11-5-3-4-10(8-18)15(11)19-9-14-17-12-6-1-2-7-13(12)20-14/h1-7,18H,8-9H2.
What are the key properties of [2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol?
[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol has a molecular weight of 305.79 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol is sourced from PubChem (CID 104631328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).