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

C16H15NO3S — CID 104631288

IUPAC[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)c(OCc2nc3ccccc3s2)c1
InChIInChI=1S/C16H15NO3S/c1-19-12-7-6-11(9-18)14(8-12)20-10-16-17-13-4-2-3-5-15(13)21-16/h2-8,18H,9-10H2,1H3
InChIKeyKTXLTSBNVWVNGA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.38
Rot. Bonds5

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

[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol (PubChem CID 104631288) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol
PubChem CID104631288
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)c(OCc2nc3ccccc3s2)c1
InChIInChI=1S/C16H15NO3S/c1-19-12-7-6-11(9-18)14(8-12)20-10-16-17-13-4-2-3-5-15(13)21-16/h2-8,18H,9-10H2,1H3
InChIKeyKTXLTSBNVWVNGA-UHFFFAOYSA-N
XLogP3.38
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate
CID 139798289
1,3-benzothiazol-2-ylmethyl 4-methoxybenzoate
CID 722271
2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
CID 107713086
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 115761235
[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 61269053
[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 104631328
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
dimethyl 5-(1,3-benzothiazol-2-ylmethoxy)benzene-1,3-dicarboxylate
CID 7643399
1,3-benzothiazol-2-ylmethyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949438
1-[2-(1,3-benzothiazol-2-ylmethoxy)-4-bromophenyl]ethanone
CID 103750338
1-[3-(1,3-benzothiazol-2-yl)propyl]-2-[(2,4-dimethoxyphenyl)methyl]-3-ethylguanidine
CID 111878629
2-[[4-(2-methylpropoxy)phenoxy]methyl]-1,3-benzothiazole
CID 72705954

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol?
The IUPAC name of [2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol (CID 104631288) is [2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol.
What is the SMILES notation for [2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol?
The canonical SMILES for [2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol is COc1ccc(CO)c(OCc2nc3ccccc3s2)c1.
What is the InChIKey of [2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol?
The InChIKey is KTXLTSBNVWVNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-19-12-7-6-11(9-18)14(8-12)20-10-16-17-13-4-2-3-5-15(13)21-16/h2-8,18H,9-10H2,1H3.
What are the key properties of [2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol?
[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol has a molecular weight of 301.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol is sourced from PubChem (CID 104631288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).