[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol

C15H12ClNO2S — CID 115761235

IUPAC[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
SMILESOCc1ccc(OCc2nc3ccccc3s2)c(Cl)c1
InChIInChI=1S/C15H12ClNO2S/c16-11-7-10(8-18)5-6-13(11)19-9-15-17-12-3-1-2-4-14(12)20-15/h1-7,18H,8-9H2
InChIKeyRKJRUUNQZIRRFL-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.02
Rot. Bonds4

About [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol

[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol (PubChem CID 115761235) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
PubChem CID115761235
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
SMILESOCc1ccc(OCc2nc3ccccc3s2)c(Cl)c1
InChIInChI=1S/C15H12ClNO2S/c16-11-7-10(8-18)5-6-13(11)19-9-15-17-12-3-1-2-4-14(12)20-15/h1-7,18H,8-9H2
InChIKeyRKJRUUNQZIRRFL-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-chlorophenyl] N,N-dimethylcarbamate
CID 139798301
[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 104631328
2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-benzothiazole
CID 8537265
4-(1,3-benzothiazol-2-ylmethoxy)-3,5-dichloroaniline
CID 104630885
2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
CID 107713086
[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol
CID 104631288
2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde
CID 104631097
1,3-benzothiazol-2-ylmethyl 4-(hydroxymethyl)benzoate
CID 2537834
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-benzothiazole
CID 104631366
4-(1,3-benzothiazol-2-ylmethoxy)-2-chlorobenzenecarbothioamide
CID 102724262
3-amino-4-(1,3-benzothiazol-2-ylmethoxy)benzoic acid
CID 104631513
4-(1,3-benzothiazol-2-ylmethoxy)-3-fluorobenzoic acid
CID 107689778

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol?
The IUPAC name of [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol (CID 115761235) is [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol.
What is the SMILES notation for [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol?
The canonical SMILES for [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol is OCc1ccc(OCc2nc3ccccc3s2)c(Cl)c1.
What is the InChIKey of [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol?
The InChIKey is RKJRUUNQZIRRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c16-11-7-10(8-18)5-6-13(11)19-9-15-17-12-3-1-2-4-14(12)20-15/h1-7,18H,8-9H2.
What are the key properties of [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol?
[4-(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 [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol is sourced from PubChem (CID 115761235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).