5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene

C13H16O2S — CID 166436778

IUPAC5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene
SMILESCOCC(C)Oc1ccc2scc(C)c2c1
InChIInChI=1S/C13H16O2S/c1-9-8-16-13-5-4-11(6-12(9)13)15-10(2)7-14-3/h4-6,8,10H,7H2,1-3H3
InChIKeyJFWWOBQYUYLTPW-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.62
Rot. Bonds4

About 5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene

5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene (PubChem CID 166436778) has the molecular formula C13H16O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene
PubChem CID166436778
Molecular FormulaC13H16O2S
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Name5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene
SMILESCOCC(C)Oc1ccc2scc(C)c2c1
InChIInChI=1S/C13H16O2S/c1-9-8-16-13-5-4-11(6-12(9)13)15-10(2)7-14-3/h4-6,8,10H,7H2,1-3H3
InChIKeyJFWWOBQYUYLTPW-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[(2R)-1-methoxypropan-2-yl]oxy-1-methylbenzene
CID 70331911
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid
CID 66439068
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
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid
CID 65203767
(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 107718696
2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine
CID 117120754
1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene
CID 141165604
actinium;(3-methyl-1-benzothiophen-5-yl)azanide
CID 20824575
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene?
The IUPAC name of 5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene (CID 166436778) is 5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene.
What is the SMILES notation for 5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene?
The canonical SMILES for 5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene is COCC(C)Oc1ccc2scc(C)c2c1.
What is the InChIKey of 5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene?
The InChIKey is JFWWOBQYUYLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S/c1-9-8-16-13-5-4-11(6-12(9)13)15-10(2)7-14-3/h4-6,8,10H,7H2,1-3H3.
What are the key properties of 5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene?
5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene has a molecular weight of 236.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-yloxy)-3-methyl-1-benzothiophene is sourced from PubChem (CID 166436778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).