(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol

C16H15NO3S — CID 66584990

IUPAC(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2nc3ccc(OC)cc3s2)c1
InChIInChI=1S/C16H15NO3S/c1-19-11-5-3-4-10(8-11)15(18)16-17-13-7-6-12(20-2)9-14(13)21-16/h3-9,15,18H,1-2H3
InChIKeyXSCDQSNUVJCAJJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.40
Rot. Bonds4

About (6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol

(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol (PubChem CID 66584990) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol
PubChem CID66584990
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2nc3ccc(OC)cc3s2)c1
InChIInChI=1S/C16H15NO3S/c1-19-11-5-3-4-10(8-11)15(18)16-17-13-7-6-12(20-2)9-14(13)21-16/h3-9,15,18H,1-2H3
InChIKeyXSCDQSNUVJCAJJ-UHFFFAOYSA-N
XLogP3.40
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol
CID 647548
(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
CID 79510887
1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 18449216
(2,6-difluorophenyl)-(3-methoxyphenyl)methanol
CID 63893352
ethyl 3,4-dihydroxy-4-(6-methoxy-1,3-benzothiazol-2-yl)butanoate
CID 171898169
1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine
CID 79511944
3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79516719
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 79512099
(3-methoxyphenyl)-quinolin-3-ylmethanol
CID 60924189
CID 158604119
CID 158604119

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol?
The IUPAC name of (6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol (CID 66584990) is (6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol.
What is the SMILES notation for (6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol?
The canonical SMILES for (6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol is COc1cccc(C(O)c2nc3ccc(OC)cc3s2)c1.
What is the InChIKey of (6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol?
The InChIKey is XSCDQSNUVJCAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-19-11-5-3-4-10(8-11)15(18)16-17-13-7-6-12(20-2)9-14(13)21-16/h3-9,15,18H,1-2H3.
What are the key properties of (6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol?
(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol has a molecular weight of 301.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol is sourced from PubChem (CID 66584990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).