5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol

C19H18O2S2 — CID 159990701

IUPAC5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol
SMILESCOc1ccc2scc(C)c2c1.Cc1csc2ccc(O)cc12
InChIInChI=1S/C10H10OS.C9H8OS/c1-7-6-12-10-4-3-8(11-2)5-9(7)10;1-6-5-11-9-3-2-7(10)4-8(6)9/h3-6H,1-2H3;2-5,10H,1H3
InChIKeyOGXHZOLHZRISCI-UHFFFAOYSA-N
MW342.49 g/mol
LogP6.13
Rot. Bonds1

About 5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol

5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol (PubChem CID 159990701) has the molecular formula C19H18O2S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol
PubChem CID159990701
Molecular FormulaC19H18O2S2
Molecular Weight342.49 g/mol
Exact Mass342.07
IUPAC Name5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol
SMILESCOc1ccc2scc(C)c2c1.Cc1csc2ccc(O)cc12
InChIInChI=1S/C10H10OS.C9H8OS/c1-7-6-12-10-4-3-8(11-2)5-9(7)10;1-6-5-11-9-3-2-7(10)4-8(6)9/h3-6H,1-2H3;2-5,10H,1H3
InChIKeyOGXHZOLHZRISCI-UHFFFAOYSA-N
XLogP6.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one
CID 7490241
5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene
CID 166436778
6-methoxy-9H-carbazol-3-ol
CID 142959347
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine
CID 117120754
3-[(3-methyl-1-benzothiophen-5-yl)oxy]azetidine
CID 84684926
1-(4-methoxyphenyl)sulfanyl-5-[(3-methyl-1-benzothiophen-5-yl)oxy]pentan-2-one
CID 123895228
actinium;(3-methyl-1-benzothiophen-5-yl)azanide
CID 20824575
3-(1-fluoroethyl)-1-benzothiophen-5-ol
CID 84666921
3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174755
5-methoxy-2,3-dimethyl-1-benzothiophene
CID 58777526
ethyl 2-(5-methoxy-1-benzothiophen-3-yl)-2-methoxyiminoacetate
CID 173419854

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol?
The IUPAC name of 5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol (CID 159990701) is 5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol.
What is the SMILES notation for 5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol?
The canonical SMILES for 5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol is COc1ccc2scc(C)c2c1.Cc1csc2ccc(O)cc12.
What is the InChIKey of 5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol?
The InChIKey is OGXHZOLHZRISCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS.C9H8OS/c1-7-6-12-10-4-3-8(11-2)5-9(7)10;1-6-5-11-9-3-2-7(10)4-8(6)9/h3-6H,1-2H3;2-5,10H,1H3.
What are the key properties of 5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol?
5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol has a molecular weight of 342.49 g/mol, XLogP of 6.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol is sourced from PubChem (CID 159990701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).