(7-methoxy-1-benzothiophen-5-yl)methanol

C10H10O2S — CID 130050628

IUPAC(7-methoxy-1-benzothiophen-5-yl)methanol
SMILESCOc1cc(CO)cc2ccsc12
InChIInChI=1S/C10H10O2S/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5,11H,6H2,1H3
InChIKeyZFZGTWXDXHULHR-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.40
Rot. Bonds2

About (7-methoxy-1-benzothiophen-5-yl)methanol

(7-methoxy-1-benzothiophen-5-yl)methanol (PubChem CID 130050628) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is (7-methoxy-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(7-methoxy-1-benzothiophen-5-yl)methanol
PubChem CID130050628
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name(7-methoxy-1-benzothiophen-5-yl)methanol
SMILESCOc1cc(CO)cc2ccsc12
InChIInChI=1S/C10H10O2S/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5,11H,6H2,1H3
InChIKeyZFZGTWXDXHULHR-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-7-methoxy-1-benzothiophene
CID 130050629
(7-methoxy-1-benzothiophen-5-yl)methanamine
CID 130050630
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
5-(chloromethyl)-7-methoxy-1-benzothiophene;5-ethyl-1-benzothiophen-7-ol;methyl 7-methoxy-1-benzothiophene-5-carboxylate
CID 167541866
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864
(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
CID 130987107
6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene
CID 130855156
[4-(hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid
CID 54470355
4,7-dimethoxy-1-benzothiophene
CID 11095506
4-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]phenol
CID 22669970
1-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]propane-1,2,3-triol
CID 170818728
6,7-dimethoxy-1-benzothiophene
CID 23321121

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzothiophen-5-yl)methanol?
The IUPAC name of (7-methoxy-1-benzothiophen-5-yl)methanol (CID 130050628) is (7-methoxy-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (7-methoxy-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (7-methoxy-1-benzothiophen-5-yl)methanol is COc1cc(CO)cc2ccsc12.
What is the InChIKey of (7-methoxy-1-benzothiophen-5-yl)methanol?
The InChIKey is ZFZGTWXDXHULHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5,11H,6H2,1H3.
What are the key properties of (7-methoxy-1-benzothiophen-5-yl)methanol?
(7-methoxy-1-benzothiophen-5-yl)methanol has a molecular weight of 194.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130050628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).