(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol

C11H12O2S — CID 130898913

IUPAC(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol
SMILESCOc1c(CO)ccc2sc(C)cc12
InChIInChI=1S/C11H12O2S/c1-7-5-9-10(14-7)4-3-8(6-12)11(9)13-2/h3-5,12H,6H2,1-2H3
InChIKeyZMPYNSKWOOXXPP-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.71
Rot. Bonds2

About (4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol

(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol (PubChem CID 130898913) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is (4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol
PubChem CID130898913
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol
SMILESCOc1c(CO)ccc2sc(C)cc12
InChIInChI=1S/C11H12O2S/c1-7-5-9-10(14-7)4-3-8(6-12)11(9)13-2/h3-5,12H,6H2,1-2H3
InChIKeyZMPYNSKWOOXXPP-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[7-(bromomethyl)-2-methyl-1-benzothiophen-4-yl]methanol
CID 130803856
2-(hydroxymethyl)-3-methoxy-1-benzothiophen-5-ol
CID 130969763
[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol
CID 91618259
2-methylbenzo[e][1]benzothiole
CID 13101461
(2-methyl-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 131057346
[4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol
CID 131145347
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole
CID 143769844
(1,5-dimethoxynaphthalen-2-yl)methanol
CID 117310761
2,4,5-trimethyl-1-benzothiophene
CID 54060383
[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
CID 10620308
7-(hydroxymethyl)-2-methyl-1-benzothiophene-4-carbonitrile
CID 130884878

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol?
The IUPAC name of (4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol (CID 130898913) is (4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol is COc1c(CO)ccc2sc(C)cc12.
What is the InChIKey of (4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol?
The InChIKey is ZMPYNSKWOOXXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-7-5-9-10(14-7)4-3-8(6-12)11(9)13-2/h3-5,12H,6H2,1-2H3.
What are the key properties of (4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol?
(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol has a molecular weight of 208.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130898913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).